data_2cs8_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 2cs8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.507 HG23 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CD2' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 25.3 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.512 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 79' ' ' VAL . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CD2' HG21 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.505 HG22 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG22 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CG ' HD23 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 24' ' ' SER . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 23' ' ' ILE . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 89' ' ' CYS . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 HG21 ' ND2' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 74' ' ' GLY . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.435 ' N ' HG11 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 40' ' ' ALA . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 76' ' ' VAL . 95.6 m-20 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 96.7 m-20 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 41.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' PRO . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 89' ' ' CYS . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 12.4 p30 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 80' ' ' PHE . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' O ' ' CD ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.408 ' C ' HG11 ' A' ' 76' ' ' VAL . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' ND2' HD21 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG22 ' ND1' ' A' ' 75' ' ' HIS . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.632 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 24' ' ' SER . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 23' ' ' ILE . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CD1' HD23 ' A' ' 86' ' ' LEU . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' CB ' HG22 ' A' ' 79' ' ' VAL . 87.0 m-20 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD13 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.61 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' C ' ' A' ' 89' ' ' CYS . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.421 ' C ' HG13 ' A' ' 76' ' ' VAL . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 40.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 16' ' ' GLY . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 15' ' ' ILE . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG13 ' C ' ' A' ' 89' ' ' CYS . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.468 ' ND2' HG22 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p30 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.468 HG22 ' ND2' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' N ' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.479 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.449 HD21 ' ND2' ' A' ' 92' ' ' ASN . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 76' ' ' VAL . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' HD21 ' A' ' 86' ' ' LEU . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 37.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.654 ' CE1' ' OD1' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 77' ' ' ASN . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.654 ' OD1' ' CE1' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 77' ' ' ASN . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 16' ' ' GLY . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 15' ' ' ILE . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 24' ' ' SER . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' ASN . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.545 HG22 ' CD2' ' A' ' 80' ' ' PHE . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' HG11 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.552 HG22 ' CD2' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CD2' HG22 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.463 ' N ' HG21 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 16' ' ' GLY . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 15' ' ' ILE . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 38' ' ' LEU . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 86' ' ' LEU . 46.3 t30 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 91' ' ' LEU . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 p30 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.504 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 67' ' ' LEU . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.404 ' C ' HG11 ' A' ' 76' ' ' VAL . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 46.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 16' ' ' GLY . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 80' ' ' PHE . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.577 ' CD2' HG21 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' SG ' ' CD1' ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 80' ' ' PHE . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD2' HG21 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -66.4 -32.47 73.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -162.63 161.21 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.92 -164.43 25.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -150.3 140.6 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 t -145.96 160.84 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.29 138.57 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.46 69.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -141.38 165.73 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 mt -41.71 163.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.73 149.23 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.9 t -54.16 108.13 1.05 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.19 -36.42 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -58.71 -32.53 69.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' LYS . 5.3 pt20 -49.45 -35.28 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 37.6 pttt -100.5 167.84 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -131.25 86.51 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -125.65 81.15 65.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.69 -0.96 7.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PRO . 24.4 tp -35.48 -62.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -84.73 149.62 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.43 126.21 54.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -135.38 139.95 44.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 53' ' ' LEU . 3.9 mm? -67.53 84.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 m -107.68 89.47 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' TRP . 30.3 p-90 -174.55 123.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' HD21 ' A' ' 57' ' ' LEU . 34.8 mmtm 58.55 39.64 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 57' ' ' LEU . 3.5 mm? -108.0 101.21 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 59' ' ' LYS . 11.8 p30 -69.1 -54.03 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 39.6 mttm -96.17 90.28 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -129.18 88.84 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.68 159.93 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 mp -99.03 151.36 37.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 174.2 9.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -127.61 72.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.52 137.2 20.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.507 HG23 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CD2' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.85 -56.58 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -51.97 -41.37 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.43 -41.58 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 mm -41.29 128.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -174.28 122.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -101.14 107.16 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.37 40.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.9 mttp -73.46 83.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LYS . 90.8 t -35.74 -58.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.1 p -66.02 120.92 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.0 t -139.18 114.95 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.22 94.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.76 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.7 p -46.39 131.19 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -117.94 42.71 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -74.93 -49.49 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -81.49 166.49 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 -178.38 39.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -112.07 136.84 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -166.73 160.3 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 85.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 126.65 13.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -166.75 139.74 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 46.1 tp -99.1 163.72 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 31.1 tttp -167.08 161.52 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 11' ' ' LYS . 25.3 t -34.5 100.87 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.512 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.45 95.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.9 -56.25 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' LYS . 47.9 tp60 -43.26 -48.55 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' GLN . 49.4 tttp 35.63 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.6 111.51 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 25.4 m-20 58.8 48.67 2.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.692 0.758 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.6 Cg_endo -69.86 3.19 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.7 tp -34.32 120.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -165.96 140.9 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.05 59.58 0.46 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.65 161.73 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 p -172.17 148.19 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.81 85.3 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -138.03 110.7 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -107.44 95.83 5.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.41 148.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -111.33 97.03 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -115.86 39.52 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -61.59 -52.65 63.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -111.05 -58.81 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -83.97 127.49 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.74 135.3 10.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.81 63.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' CYS . 29.8 p-80 -116.84 155.91 28.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 5.7 t -36.02 133.95 0.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 79' ' ' VAL . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CD2' HG21 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.47 -33.85 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.8 -41.17 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -59.0 -34.56 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 26.5 mm -39.57 -42.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' ILE . 31.3 mttm -36.47 104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 175.22 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.0 -146.55 17.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -132.15 102.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.63 -27.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t 54.06 42.9 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -168.16 163.64 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -98.66 106.35 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.6 p -78.64 77.47 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -44.75 -53.2 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.471 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -172.52 171.74 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -174.34 175.01 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.92 132.24 3.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -171.21 168.02 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -149.92 155.94 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.68 94.32 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -176.89 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -91.45 127.04 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 60.9 mt -153.51 162.72 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -158.64 138.08 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -43.95 105.32 0.43 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD21 ' CD ' ' A' ' 42' ' ' ARG . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.39 85.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.16 -63.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' CD ' HD21 ' A' ' 38' ' ' LEU . 23.7 mtp180 -47.61 -33.07 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -74.41 -55.51 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 8.2 pttp -84.13 47.33 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.44 -40.97 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -127.83 69.2 76.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.31 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.625 2.217 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -134.07 25.82 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 54.7 38.39 29.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.06 52.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.91 -44.17 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.4 p -85.17 134.34 34.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.49 -48.97 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -41.62 114.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -107.17 -61.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -68.13 144.09 55.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 tp -47.37 -46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.28 113.29 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.14 -59.75 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.72 176.94 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -107.58 130.82 54.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.72 151.17 39.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.04 55.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' HIS . 12.8 p-80 -90.88 -22.99 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.98 133.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.505 HG22 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG22 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' HIS . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.408 ' CG ' HD23 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.37 -31.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -54.62 -47.53 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.48 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.4 mm -78.39 45.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.96 140.57 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -79.15 -58.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.64 -174.91 26.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -90.95 42.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.9 42.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 m -113.9 -51.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.6 m -43.37 -53.43 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.13 -148.81 19.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.42 35.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -128.17 126.78 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.7 m -85.71 111.98 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.541 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -148.32 173.85 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -84.18 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.74 -43.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p 43.71 42.59 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p 38.18 42.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 126.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -97.91 124.34 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.78 150.14 23.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ttmp? -170.44 167.22 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 8.1 t -36.54 105.15 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 24' ' ' SER . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 23' ' ' ILE . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -46.85 -58.97 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -64.22 -45.55 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' LYS . 37.2 mm-40 -47.03 -46.08 21.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -36.93 111.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -146.76 139.38 25.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.3 80.92 71.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.22 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tp 54.96 41.75 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -112.73 171.45 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 118.11 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.43 -53.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -119.73 84.04 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.39 -48.4 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -78.95 -49.19 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.54 40.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 109.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 58' ' ' ASN . 83.3 mt -79.47 43.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' LEU . 12.5 p30 33.78 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -147.8 117.51 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -115.89 101.0 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -40.24 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.96 155.7 80.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 138.47 38.05 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.2 p-80 -169.17 132.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' HIS . 50.9 t -34.9 135.54 0.41 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 89' ' ' CYS . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 HG21 ' ND2' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 74' ' ' GLY . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.435 ' N ' HG11 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.12 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' ASN . 30.0 mm-40 -64.72 -44.74 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.522 HG11 ' N ' ' A' ' 96' ' ' ILE . 8.7 p -64.18 -25.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.522 ' N ' HG11 ' A' ' 95' ' ' VAL . 77.6 mt -64.14 123.88 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -174.17 148.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 101.99 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.3 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -76.3 100.74 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.42 150.14 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 p -128.57 94.46 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.5 m -131.95 141.37 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.7 105.1 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 87.7 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -157.18 127.14 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 p -109.9 145.13 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.442 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -174.14 159.88 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -175.05 172.88 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 143.39 3.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -162.09 147.08 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -171.19 171.72 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.98 -170.52 42.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 178.53 4.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -153.82 120.88 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.6 mt -152.07 121.51 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' CYS . 6.4 ptmm? -165.45 -176.87 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 36.4 t -33.68 109.73 0.34 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 HD12 ' CB ' ' A' ' 40' ' ' ALA . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . -84.75 -51.18 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -49.5 -43.17 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLN . 13.9 ttt180 -41.91 -40.86 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ARG . 26.9 pt20 -36.04 -39.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -94.85 87.59 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.37 -51.99 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -114.07 105.73 53.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -154.9 119.96 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -135.83 143.29 45.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.54 137.2 9.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.34 -59.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -129.91 86.39 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.84 88.99 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 p -127.28 98.58 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.96 85.65 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -99.95 -49.14 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 4.1 pp -102.99 40.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -97.75 40.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' GLN . 15.5 mttp -120.04 -43.35 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -35.25 145.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -107.07 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -86.27 153.83 56.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 64' ' ' HIS . 54.1 Cg_endo -69.75 -164.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' PRO . 9.9 p80 -35.47 133.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.2 t -34.75 133.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 76' ' ' VAL . 95.6 m-20 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.11 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.27 -35.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 97' ' ' LYS . 96.0 t -86.41 -42.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' VAL . 32.1 mm -36.94 -28.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 95' ' ' VAL . 19.0 pttm -37.53 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -4.78 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.65 96.03 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -80.59 -61.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.05 149.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -141.01 105.93 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t -55.72 124.74 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.9 177.3 23.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.1 p -70.17 164.04 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -72.97 119.34 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.499 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.15 177.22 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -154.38 177.68 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.32 -159.38 10.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.48 155.99 38.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -124.1 178.26 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.37 134.01 4.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -133.64 142.02 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -141.07 165.77 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.82 160.22 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 t -39.17 105.12 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.61 -47.41 78.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -64.49 -44.17 91.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -59.97 -36.1 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -86.49 42.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -110.98 91.6 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 46' ' ' ASN . 22.7 tp10 -111.52 158.85 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 8.0 m120 -97.18 103.52 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' C ' HD11 ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.739 2.292 . . . . 0.0 112.338 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 47' ' ' PRO . 2.2 mp -153.95 161.25 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -93.46 162.3 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.09 138.33 7.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.39 137.27 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mp -40.9 146.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.1 t -121.53 149.77 42.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' SER . 12.9 t90 -35.46 -43.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -80.28 97.12 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.99 136.59 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -104.83 84.2 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -138.69 132.46 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.79 162.76 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -95.77 129.77 42.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -107.47 148.84 37.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 145.41 56.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -69.77 177.21 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.35 128.59 2.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 96.7 m-20 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -42.37 -59.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -40.95 -41.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 39.4 t -55.78 -67.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 95' ' ' VAL . 4.9 mp -35.15 -44.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.4 tttm -37.23 138.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -134.07 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.03 -108.12 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -108.06 123.17 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.52 -22.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -54.39 -44.78 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.3 p -112.5 121.28 44.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -164.92 114.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.43 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -113.83 130.5 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m -69.63 120.38 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -110.09 155.95 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.38 157.18 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 134.87 4.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -133.52 175.04 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -164.4 142.1 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.84 90.34 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 107.83 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -168.58 133.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.61 124.75 34.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 ttmt -138.62 158.45 44.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' LYS . 41.7 t -35.48 104.4 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . -65.77 -46.26 79.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -46.02 -45.92 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -97.05 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -58.25 -57.8 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -114.62 -61.57 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.27 117.74 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.15 5.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -129.64 103.65 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.61 126.76 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.39 -157.06 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.19 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -152.21 114.21 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.95 41.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -84.18 89.79 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -127.06 41.88 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -120.77 -25.44 5.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 57' ' ' LEU . 5.4 tt -86.74 -43.82 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 60' ' ' GLN . 1.8 p-10 -93.93 -37.79 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASN . 5.9 pttp 34.37 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 7.8 tp60 -117.05 130.73 56.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 tt0 -86.79 37.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 8.1 mt -148.8 130.76 7.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 160.15 50.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -128.48 176.52 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.24 135.41 93.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' PRO . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 89' ' ' CYS . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 12.4 p30 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 80' ' ' PHE . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' O ' ' CD ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.408 ' C ' HG11 ' A' ' 76' ' ' VAL . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' ND2' HD21 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.7 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.94 -24.63 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.46 -37.14 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -44.49 -62.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 49.98 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -165.27 167.94 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 -158.27 20.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -133.41 147.29 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.07 127.51 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -42.98 125.89 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.0 m -92.36 -45.85 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.94 150.49 21.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.87 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -119.47 119.45 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -109.57 174.8 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -147.01 146.75 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -153.03 169.25 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.71 155.95 26.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -150.4 156.54 41.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -173.48 152.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.02 139.23 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 163.32 38.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.46 140.66 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.18 157.8 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.3 ptmt -174.07 167.92 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 t -33.92 105.36 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.12 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.4 -58.83 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLN . 9.9 mtp-105 -45.26 -43.3 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ARG . 38.2 tp60 -34.18 -45.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLU . 6.2 ttpm? -46.0 -57.72 4.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' LYS . 19.8 tt0 34.89 52.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 8.4 p-10 -97.05 107.68 39.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.5 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' ASN . 2.7 tt -35.88 -61.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' LEU . 4.9 t30 -35.75 114.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.94 82.34 1.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.4 113.35 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -147.86 165.06 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.74 -46.28 40.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -131.1 127.86 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -41.11 -48.39 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.59 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.08 -51.4 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -69.27 144.98 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -95.66 -45.4 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -130.75 -34.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.59 111.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -50.86 143.81 14.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.02 2.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.36 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -174.85 164.21 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.62 128.16 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 HG22 ' ND1' ' A' ' 75' ' ' HIS . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.632 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.07 -42.56 76.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -62.3 -46.75 87.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.69 -45.42 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.6 mt -51.39 125.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -167.49 129.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tttp 43.38 40.69 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.56 -141.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.25 120.76 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.84 171.52 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -72.39 162.87 28.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -111.72 172.9 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.62 140.62 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.05 22.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' SER . 85.9 p -75.79 115.23 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' SER . 11.4 t -34.12 -58.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -149.24 107.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -154.93 173.16 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 167.96 6.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -110.23 42.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m 38.77 50.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.85 87.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 110.76 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 58.85 43.2 18.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.3 mm? -97.11 125.43 41.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -151.92 177.84 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t -46.65 107.9 0.77 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 24' ' ' SER . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 23' ' ' ILE . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -44.7 -44.27 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.28 -40.85 87.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -115.35 68.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -42.42 131.85 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -140.22 161.79 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.77 80.93 55.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 52.02 43.55 30.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -47.07 -44.92 21.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.72 82.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.78 109.75 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -69.71 132.43 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -97.23 -44.68 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 m -90.69 91.8 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -119.91 -55.7 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.37 -43.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.52 174.26 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -112.22 -47.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -56.64 149.39 17.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 tp-100 -140.65 121.76 14.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -136.48 157.07 47.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -80.61 160.08 67.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.57 0.7 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 53.6 Cg_endo -69.76 149.34 66.78 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 1.8 m-70 -174.22 129.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' HIS . 42.7 t -36.03 134.35 0.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' CD1' HD23 ' A' ' 86' ' ' LEU . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' CB ' HG22 ' A' ' 79' ' ' VAL . 87.0 m-20 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.45 HG22 ' CB ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 67' ' ' LEU . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.52 -61.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -36.76 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 97' ' ' LYS . 74.6 t -62.19 -35.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 97' ' ' LYS . 94.5 mt -37.51 -27.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' VAL . 7.2 pttp -35.7 104.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -83.61 90.64 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.33 -100.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -153.75 137.15 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.88 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m -83.28 110.63 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 t -154.39 158.64 40.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 154.12 18.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.97 24.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.6 m -120.68 176.19 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -111.09 174.9 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.481 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -154.62 172.87 17.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -114.01 -60.21 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.61 172.68 14.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -159.82 176.44 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -132.97 178.57 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 145.53 14.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -172.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.15 98.62 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 4.3 mm? -89.36 161.74 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -155.61 138.17 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.9 t -37.74 107.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD13 ' A' ' 23' ' ' ILE . . . -76.38 -47.28 23.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -47.66 -43.3 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.71 -38.52 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -75.42 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -59.59 122.72 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.6 mm-40 -132.54 167.37 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . 18.0 t-20 -36.4 110.61 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -174.64 -178.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -158.21 126.82 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.55 -157.65 14.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 80.36 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -160.27 121.68 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 40.58 43.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -78.36 148.07 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -148.32 156.5 42.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -45.09 110.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -170.12 156.01 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 m120 71.24 38.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -54.11 -41.31 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 34.5 tt0 -39.03 149.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 4.7 pt-20 -72.14 148.95 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' H ' ' CD1' ' A' ' 62' ' ' LEU . 2.0 mp -38.79 152.33 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.46 12.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 34.7 m-70 -106.16 -24.04 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.4 t -179.89 121.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.61 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.421 HG13 ' C ' ' A' ' 89' ' ' CYS . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 64' ' ' HIS . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.421 ' C ' HG13 ' A' ' 76' ' ' VAL . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -42.61 -44.6 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -59.55 -45.47 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.97 -55.8 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.6 mt -42.73 -43.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -38.48 110.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -59.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.9 90.96 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -157.03 130.42 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.96 139.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -155.48 139.76 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t 41.57 33.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.18 -74.11 1.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -2.3 9.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.2 t -49.6 136.83 16.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.9 p -78.56 138.49 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -86.01 -57.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -171.89 174.2 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.11 -90.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p 39.32 41.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -107.25 172.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.13 138.85 6.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.3 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -111.98 130.54 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.08 128.73 34.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 20.6 pttt -162.53 160.7 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 40.2 t -34.88 101.91 0.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 16' ' ' GLY . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 15' ' ' ILE . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 41' ' ' LYS . 4.6 tmmm? -75.43 -49.02 20.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -55.11 -48.69 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -78.5 -57.12 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt 58.56 39.44 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.08 171.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -106.21 99.89 26.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tp 59.91 41.32 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -43.36 137.77 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.23 -80.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 42.36 40.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -85.21 128.81 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 4.0 pp -87.02 43.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -110.87 125.47 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -159.02 130.07 6.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' HE2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -175.7 179.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -118.64 94.51 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' LYS . 4.1 m120 -117.58 -42.42 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER 32.45 47.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -120.1 115.98 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -39.62 113.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' CD2' ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -58.88 155.48 31.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.35 12.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.228 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' HIS . 1.7 p80 -83.28 41.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -177.76 135.06 0.36 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG13 ' C ' ' A' ' 89' ' ' CYS . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' ND2' HG22 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p30 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.468 HG22 ' ND2' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' N ' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.479 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 HD21 ' ND2' ' A' ' 92' ' ' ASN . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 76' ' ' VAL . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.449 ' ND2' HD21 ' A' ' 86' ' ' LEU . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -37.73 -33.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -46.13 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' ILE . 97.9 t -66.65 -42.63 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' VAL . 42.9 mm -33.64 -54.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.6 tppt? 37.22 54.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 132.29 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.82 14.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.77 148.84 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.73 -2.11 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.7 m -111.17 84.23 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.8 p -129.67 84.31 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.3 -73.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 139.14 39.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -119.45 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -125.38 -56.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -168.55 163.25 12.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -123.43 175.88 6.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 177.38 20.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -138.37 151.94 47.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -111.05 -59.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 137.7 2.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -174.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.9 139.92 41.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.58 145.02 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' CYS . 8.6 mptt -135.98 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' LYS . 37.5 t -36.51 99.14 0.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -44.64 -33.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -89.66 -36.41 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -55.64 -45.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -56.52 127.96 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASN . 11.5 tt0 -104.04 151.3 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 8.3 p30 36.24 53.41 2.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.8 Cg_endo -69.74 -5.6 16.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 6.0 tp -33.83 117.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -118.18 -46.64 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.22 4.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 88.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.1 p -121.95 172.26 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mp -47.65 119.37 2.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.2 m -74.08 -49.13 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -162.82 145.78 10.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 143.67 26.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -120.6 37.67 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.07 -46.08 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -103.21 176.87 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 18.2 pt20 -96.32 -49.17 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 44.9 mt-10 -104.94 75.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' C ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.53 153.42 87.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.77 3.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 13.2 t-160 -162.55 118.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t -40.79 126.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.654 ' CE1' ' OD1' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 77' ' ' ASN . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.654 ' OD1' ' CE1' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 77' ' ' ASN . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -52.15 -43.75 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' ILE . 99.4 t -62.58 -42.22 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' VAL . 49.0 mm -34.73 -42.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.2 116.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -64.73 153.41 39.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.51 -69.73 0.45 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -58.13 129.7 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.1 131.6 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.2 m -128.3 87.54 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -134.71 42.02 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.41 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.01 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.0 m -111.75 135.74 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.7 p -156.39 133.28 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -159.85 161.77 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -173.29 177.85 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 -105.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m 55.25 48.6 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.806 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -55.27 165.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.17 135.17 4.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 165.15 31.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' LEU . 2.6 tp10 -172.37 161.94 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.0 mm? -33.87 130.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' CYS . 60.1 mttt -157.23 -178.39 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' LYS . 13.3 t -34.35 108.06 0.32 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 16' ' ' GLY . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 15' ' ' ILE . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 24' ' ' SER . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.46 -50.16 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -41.72 -36.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -49.25 72.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -71.5 -30.35 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -138.46 119.16 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -103.14 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 2.1 p30 -127.41 89.0 52.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.75 -1.4 8.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -34.89 144.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.92 172.71 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.53 145.73 17.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.84 133.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 m -144.01 136.46 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -147.85 115.28 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -84.51 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -161.89 170.5 19.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -45.69 139.98 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -157.88 139.76 14.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -100.6 44.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm 63.48 42.13 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -112.72 139.16 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 45.64 39.69 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.52 155.96 87.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.296 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -62.05 179.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t -38.21 120.47 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' ASN . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG22 ' CD2' ' A' ' 80' ' ' PHE . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.415 ' C ' HG11 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.86 -24.01 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.81 -34.66 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.97 -30.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' LYS . 42.0 mm -44.69 -39.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ILE . 4.3 mmmm -37.78 97.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.85 169.52 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LYS . . . 35.72 -116.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -105.95 149.89 26.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.6 130.42 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -97.76 97.9 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.8 p -49.11 149.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.52 143.7 21.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.19 11.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -114.28 112.98 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.4 p -94.92 41.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.522 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -170.0 169.89 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -132.83 176.3 8.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.75 -168.12 39.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -155.8 175.9 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -152.01 163.07 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -155.69 103.51 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.8 Cg_endo -69.75 135.47 30.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -125.21 151.49 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.52 139.15 49.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 159.82 43.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.6 t -42.76 108.08 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -39.26 85.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -77.71 -48.06 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -43.48 -38.09 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -84.09 45.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -78.95 -35.31 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.23 155.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -97.98 102.69 14.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -153.63 141.84 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 148.6 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.81 157.46 24.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.79 147.45 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 p -122.88 92.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 54' ' ' SER . 1.1 pt? -38.73 -35.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 46.2 m -165.29 157.4 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -163.98 123.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -152.9 123.85 7.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -150.86 152.94 34.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.15 97.13 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' LEU . 2.3 ttmm -107.22 151.89 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -144.59 140.92 29.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 46.55 45.61 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HB3' ' CD ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -39.04 153.2 0.17 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.77 28.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -105.18 171.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t -43.64 122.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.552 HG22 ' CD2' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CD2' HG22 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' NH1' HD11 ' A' ' 62' ' ' LEU . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.27 -46.81 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.29 -41.82 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.08 -47.35 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LYS . 90.2 mt -44.48 -43.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.2 tttm -36.82 118.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -93.04 -29.23 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.37 -177.78 44.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -59.56 146.97 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.96 149.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -104.86 169.58 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t 41.12 42.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.77 -65.63 2.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.15 10.81 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -112.39 98.2 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.8 t -148.88 126.45 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -148.59 149.04 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -99.26 -57.46 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 -173.42 15.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -167.07 113.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -58.22 -61.72 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 95.64 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.6 14.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -142.72 143.81 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.9 mt -150.3 148.91 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 150.65 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.54 105.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' CD ' ' A' ' 43' ' ' GLN . . . -64.32 -26.79 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.18 -42.94 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.69 -49.3 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 14.2 pt20 -47.95 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 15.5 ptmt -81.64 80.27 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.1 109.86 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -127.83 79.37 73.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.7 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -33.5 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 33.6 m-20 -173.95 171.87 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.25 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.28 -61.37 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.1 t -91.33 -49.38 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 53' ' ' LEU . 4.3 mm? -81.16 169.54 17.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -77.88 -60.03 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 67.3 t90 -141.74 105.74 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -92.2 150.66 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -108.13 -53.18 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.54 95.89 5.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -110.84 -69.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -128.25 145.85 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.3 116.73 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' C ' HD11 ' A' ' 62' ' ' LEU . 1.7 pp -144.95 143.68 21.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.594 0.711 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.04 27.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' HB3' ' CB ' ' A' ' 84' ' ' ARG . 35.5 t-80 -129.33 136.89 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t -178.94 134.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' HIS . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.78 -50.92 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -47.38 -44.11 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 88.7 t -68.53 -45.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 48.1 mm -35.15 -40.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.8 mtpp -35.7 131.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -149.8 157.18 42.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.36 131.42 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.96 132.3 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -101.8 132.79 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 p -49.29 113.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -150.33 152.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.97 -178.44 51.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 160.04 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -41.44 -50.34 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.486 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 143.91 50.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -102.92 -41.26 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 172.3 48.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -132.67 178.93 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.832 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 123.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -117.42 121.7 41.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.65 153.46 20.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -174.51 -179.74 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 15.0 t -34.44 104.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' GLN . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.72 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -76.64 -46.42 25.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' HD2' ' CD2' ' A' ' 38' ' ' LEU . 20.8 mtp85 -40.5 -30.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 39' ' ' ALA . 1.3 mp0 -83.53 40.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -133.43 76.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' ASN . 22.9 mt-10 -122.45 -48.2 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 45' ' ' GLU . 12.4 t-20 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 53.3 Cg_endo -69.76 -48.58 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.215 . . . . 0.0 112.322 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp 48.65 41.47 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -44.55 126.86 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -154.61 25.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.54 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' LEU . 10.5 p -132.71 -50.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' SER . 54.2 mt 34.85 43.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -146.48 123.37 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CE3' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -66.89 170.83 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 8.3 ptpt -81.5 42.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 tp -93.76 46.81 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -92.36 99.34 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -69.76 146.29 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -106.43 162.65 13.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.96 154.8 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.09 160.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.82 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' CYS . 60.1 m80 -92.85 156.99 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 37.9 t -33.96 134.53 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.463 ' N ' HG21 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.5 -20.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -78.17 -37.02 46.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 96' ' ' ILE . 9.8 p -84.28 -30.5 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.474 ' N ' HG12 ' A' ' 95' ' ' VAL . 2.9 mt -48.53 -23.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 144.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -103.89 -54.62 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 98.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 10.9 tptm 68.13 54.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' LYS . 60.8 t -34.03 -50.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 m -144.58 132.81 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.4 p -53.45 171.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.21 -123.93 7.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.09 47.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -124.56 103.95 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.3 p -100.03 112.61 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.447 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -99.86 157.87 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -164.98 177.38 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -162.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -172.77 175.29 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -148.0 176.78 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.36 123.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.226 . . . . 0.0 112.381 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -128.28 173.2 10.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.61 122.73 22.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -166.57 160.53 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t -48.68 108.56 0.97 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 16' ' ' GLY . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 15' ' ' ILE . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 38' ' ' LEU . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.89 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -80.58 -30.86 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' NE ' ' OE1' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -54.86 -36.18 64.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -42.54 -24.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ARG . 15.9 tttp -130.8 76.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' OE1' ' NE ' ' A' ' 42' ' ' ARG . 72.6 tt0 -129.81 97.95 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -110.69 87.49 6.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 3.02 3.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -39.29 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -94.16 107.13 19.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.36 -41.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -35.8 125.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -148.99 157.27 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.69 131.08 28.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 p -132.74 -45.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.78 169.6 14.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -115.3 -58.02 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -113.67 108.14 16.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 27.3 m-20 -174.34 109.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -96.97 110.92 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -174.17 109.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.26 106.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.7 mt -114.93 152.74 46.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.98 13.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 84' ' ' ARG . 15.8 m170 -117.39 38.0 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t -104.35 138.52 19.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' CB ' HD23 ' A' ' 48' ' ' LEU . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 86' ' ' LEU . 46.3 t30 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.12 -62.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -48.18 -41.74 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.09 -49.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LYS . 86.4 mt -50.48 -47.69 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' ILE . 27.0 ttpt 35.66 50.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.74 -105.54 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 51.55 38.86 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.8 m -45.57 121.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 28.8 t -69.95 89.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' SER . 95.4 p 34.44 41.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.61 -172.39 22.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 t -112.74 42.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 p -58.83 162.47 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.432 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.3 m -68.66 -46.92 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -36.74 154.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.51 -174.22 27.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -171.93 136.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -163.51 160.29 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.96 148.06 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -88.57 119.29 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.02 163.17 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' CYS . 28.9 pttt -146.64 150.22 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.1 t -34.89 102.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.72 77.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -65.78 -38.04 87.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -75.02 -60.47 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.9 pt20 -46.19 -41.33 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLN . 31.4 tttt -36.71 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -118.64 -44.88 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -66.63 114.77 19.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.78 6.71 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -30.76 142.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.6 -64.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.48 -139.44 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.32 -178.49 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -108.61 124.62 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.9 mt -121.98 122.55 39.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.6 p -119.33 141.76 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -111.75 87.39 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -119.08 44.37 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.33 136.65 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -56.0 -52.41 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.33 157.39 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -160.09 124.6 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -113.53 156.1 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -67.81 127.03 93.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -87.35 157.46 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t -42.82 134.06 2.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 91' ' ' LEU . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 p30 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.504 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 67' ' ' LEU . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.404 ' C ' HG11 ' A' ' 76' ' ' VAL . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.454 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.65 -61.4 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -42.73 -27.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.85 -48.59 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.3 mt -53.85 124.63 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 1.9 ttmp? -174.22 152.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 97' ' ' LYS . 37.9 tttt -123.08 -51.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.87 51.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -126.69 117.09 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.55 41.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -68.84 -42.9 76.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -86.49 134.14 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.99 -96.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 90.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 p -42.52 -54.66 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.5 p 43.03 43.46 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.539 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -153.94 159.28 41.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -167.64 167.9 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 144.8 6.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -165.37 159.95 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -162.52 163.85 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.97 108.04 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.18 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -131.65 129.98 41.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.57 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 pttm -152.93 139.41 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' LYS . 46.2 t -34.1 98.73 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 16' ' ' GLY . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.23 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -48.1 -54.38 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -70.93 -50.37 35.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -88.52 47.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ASN . 12.7 mt-10 -62.49 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 45' ' ' GLU . 6.2 m120 -33.73 111.33 0.38 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -52.34 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.366 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -160.01 179.26 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -162.88 156.47 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.74 -158.13 15.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.61 -61.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -94.5 160.12 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -80.95 155.59 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -47.09 112.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.33 150.43 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.17 171.65 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.21 156.15 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.91 -49.08 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.24 126.59 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -125.09 110.31 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 62' ' ' LEU . 1.8 pp -46.96 156.94 0.5 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.2 54.31 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.7 m-70 -77.47 173.87 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' HIS . 49.8 t -37.26 134.76 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 80' ' ' PHE . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' CD2' HG21 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -72.91 -31.26 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -74.57 -41.06 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 96' ' ' ILE . 2.7 p -60.81 -22.47 26.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' N ' HG11 ' A' ' 95' ' ' VAL . 96.0 mt -47.83 -34.63 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 98' ' ' LYS . 12.6 ptmm? 35.36 50.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -29.19 141.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.24 -134.31 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -91.84 111.12 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.91 94.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -89.11 81.09 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -65.48 99.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.46 136.4 14.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 126.78 13.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -57.55 160.58 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.6 p -90.33 166.99 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -56.01 -52.6 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -57.52 165.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -135.88 4.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -125.64 172.26 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -118.26 -49.77 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -171.05 93.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.421 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 10.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 7' ' ' GLY . 17.8 mp0 -132.36 137.33 47.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 39.2 tp -96.5 160.13 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 10' ' ' LEU . 3.4 mptt -153.15 178.63 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' LYS . 22.7 t -36.04 105.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -43.3 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 15.8 mtp85 -53.88 -51.73 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' ARG . 9.9 mt-30 -35.71 -44.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -109.24 80.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -92.9 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 65.8 t30 53.18 54.11 12.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.77 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pp -161.18 163.03 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -126.5 106.56 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.04 -53.68 0.53 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.88 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -170.77 -179.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.9 mt 53.75 45.05 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 53' ' ' LEU . 27.1 p -34.35 -56.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' SER . 90.7 m95 -35.57 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 46.95 39.93 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 133.19 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -40.07 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -112.74 164.78 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 pm0 -117.2 40.44 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' LEU . 9.1 pt-20 -43.89 112.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 61' ' ' GLU . 18.3 mt -34.49 151.7 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -68.9 168.2 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t -43.19 132.55 3.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' SG ' ' CD1' ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 80' ' ' PHE . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CD2' HG21 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.35 -51.34 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -53.31 -41.3 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.46 -32.22 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.4 mt -84.68 50.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.34 129.55 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 127.29 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.75 -30.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 149.86 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 102' ' ' SER . 9.6 p -66.17 139.0 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 101' ' ' VAL . 13.6 t -137.12 161.77 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 m -61.53 105.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . 171.06 98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.54 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.76 96.91 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.624 2.216 . . . . 0.0 112.384 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 m -105.82 135.26 47.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -126.44 135.56 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 14.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 16' ' ' GLY . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.537 ' HA ' HD13 ' A' ' 38' ' ' LEU . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 90' ' ' PRO . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.611 ' HB3' HG22 ' A' ' 79' ' ' VAL . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 77' ' ' ASN . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 25.3 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLY . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 90' ' ' PRO . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 16' ' ' GLY . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 40' ' ' ALA . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' VAL . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 90' ' ' PRO . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' HG13 ' A' ' 79' ' ' VAL . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 82' ' ' THR . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD22 ' ND2' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.732 ' ND2' HD22 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' LEU . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 17' ' ' CYS . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 91' ' ' LEU . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 82' ' ' THR . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 HG23 ' A' ' 81' ' ' VAL . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' HG22 ' A' ' 76' ' ' VAL . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' SG ' ' A' ' 70' ' ' CYS . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.47 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD12 ' A' ' 91' ' ' LEU . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.498 ' N ' HG23 ' A' ' 76' ' ' VAL . 9.2 m120 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.519 ' SG ' HD22 ' A' ' 67' ' ' LEU . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 27.4 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 0.8 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.587 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 17' ' ' CYS . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 90' ' ' PRO . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' CD2' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CD2' HG23 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.467 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 41.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 38' ' ' LEU . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.777 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 86' ' ' LEU . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 91' ' ' LEU . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 90' ' ' PRO . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.639 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.2 p-10 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.639 HG22 ' HB3' ' A' ' 77' ' ' ASN . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 82' ' ' THR . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CD ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.637 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.536 ' ND2' HD22 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 3.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.644 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 28' ' ' THR . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG23 ' N ' ' A' ' 77' ' ' ASN . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 79' ' ' VAL . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.6 m120 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CD2' HG23 ' A' ' 79' ' ' VAL . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.445 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 40' ' ' ALA . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 91' ' ' LEU . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.645 ' O ' HG13 ' A' ' 79' ' ' VAL . 18.3 m120 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 79' ' ' VAL . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 70' ' ' CYS . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 16' ' ' GLY . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 23' ' ' ILE . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 91' ' ' LEU . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.603 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.643 ' CD2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 40.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 40' ' ' ALA . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 38' ' ' LEU . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' PRO . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.771 ' O ' HG13 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.7 p-10 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CD2' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.495 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 37.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.72 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.804 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.804 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 7.5 p30 -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' OD1' ' A' ' 77' ' ' ASN . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.628 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.6 ' HA ' HD13 ' A' ' 38' ' ' LEU . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.476 ' SG ' HD13 ' A' ' 91' ' ' LEU . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.865 ' O ' HG13 ' A' ' 79' ' ' VAL . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 77' ' ' ASN . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 66' ' ' PRO . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD13 ' SG ' ' A' ' 70' ' ' CYS . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 10.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 17' ' ' CYS . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.553 ' HB3' HG22 ' A' ' 79' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 66' ' ' PRO . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 9.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' THR . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 82' ' ' THR . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.459 ' SG ' HD22 ' A' ' 67' ' ' LEU . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.794 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 15.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.79 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.79 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.539 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.728 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.807 HG12 ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' ND2' ' A' ' 92' ' ' ASN . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.539 ' SG ' HD22 ' A' ' 67' ' ' LEU . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.807 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 86' ' ' LEU . 38.6 t30 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 36' ' ' CYS . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 28' ' ' THR . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 21' ' ' GLY . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.437 ' SG ' HD13 ' A' ' 91' ' ' LEU . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 73' ' ' LEU . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 71' ' ' ASN . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 90' ' ' PRO . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.517 ' HB3' HG22 ' A' ' 79' ' ' VAL . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' H ' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 82' ' ' THR . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' OD1' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.493 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.722 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.636 ' OD1' HD22 ' A' ' 86' ' ' LEU . 11.8 t-20 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' LEU . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.574 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.845 ' SG ' HD11 ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.61 ' HB3' HG22 ' A' ' 79' ' ' VAL . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.9 p-10 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 77' ' ' ASN . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' N ' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.574 ' SG ' HD22 ' A' ' 67' ' ' LEU . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.742 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.845 HD11 ' SG ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 77' ' ' ASN . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD22 ' CG ' ' A' ' 92' ' ' ASN . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HG2' HD12 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.558 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 22.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 16' ' ' GLY . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' SER . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' THR . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 38' ' ' LEU . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.528 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 77' ' ' ASN . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -66.4 -32.47 73.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -162.63 161.21 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.92 -164.43 25.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -150.3 140.6 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 t -145.96 160.84 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.29 138.57 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.46 69.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -141.38 165.73 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 24.3 mt -41.71 163.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.73 149.23 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 14.9 t -54.16 108.13 1.05 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 16' ' ' GLY . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.537 ' HA ' HD13 ' A' ' 38' ' ' LEU . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -89.19 -36.42 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -58.71 -32.53 69.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 44' ' ' LYS . 5.3 pt20 -49.45 -35.28 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 37.6 pttt -100.5 167.84 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -131.25 86.51 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -125.65 81.15 65.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.69 -0.96 7.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PRO . 24.4 tp -35.48 -62.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -84.73 149.62 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.43 126.21 54.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -135.38 139.95 44.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.53 84.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 m -107.68 89.47 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.509 ' O ' HD23 ' A' ' 57' ' ' LEU . 30.3 p-90 -174.55 123.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm 58.55 39.64 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 55' ' ' TRP . 3.5 mm? -108.0 101.21 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 59' ' ' LYS . 11.8 p30 -69.1 -54.03 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 39.6 mttm -96.17 90.28 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -129.18 88.84 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.68 159.93 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 mp -99.03 151.36 37.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 174.2 9.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -127.61 72.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.52 137.2 20.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 90' ' ' PRO . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.611 ' HB3' HG22 ' A' ' 79' ' ' VAL . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 77' ' ' ASN . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.85 -56.58 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -51.97 -41.37 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.43 -41.58 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 mm -41.29 128.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -174.28 122.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -101.14 107.16 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.37 40.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.9 mttp -73.46 83.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LYS . 90.8 t -35.74 -58.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.1 p -66.02 120.92 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.0 t -139.18 114.95 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.22 94.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.76 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.7 p -46.39 131.19 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -117.94 42.71 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -74.93 -49.49 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -81.49 166.49 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 -178.38 39.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -112.07 136.84 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -166.73 160.3 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 85.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 126.65 13.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -166.75 139.74 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 11' ' ' LYS . 46.1 tp -99.1 163.72 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 10' ' ' LEU . 31.1 tttp -167.08 161.52 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 25.3 t -34.5 100.87 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLY . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.45 95.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.9 -56.25 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' LYS . 47.9 tp60 -43.26 -48.55 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' GLN . 49.4 tttp 35.63 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.6 111.51 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 25.4 m-20 58.8 48.67 2.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.692 0.758 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.6 Cg_endo -69.86 3.19 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.7 tp -34.32 120.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -165.96 140.9 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.05 59.58 0.46 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.65 161.73 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 p -172.17 148.19 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.81 85.3 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -138.03 110.7 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -107.44 95.83 5.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.41 148.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -111.33 97.03 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -115.86 39.52 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -61.59 -52.65 63.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -111.05 -58.81 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -83.97 127.49 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.3 pp -148.74 135.3 10.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.81 63.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' CYS . 29.8 p-80 -116.84 155.91 28.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 5.7 t -36.02 133.95 0.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 90' ' ' PRO . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 62' ' ' LEU . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.47 -33.85 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.8 -41.17 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -59.0 -34.56 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 26.5 mm -39.57 -42.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' ILE . 31.3 mttm -36.47 104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 175.22 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.0 -146.55 17.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -132.15 102.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.478 HG13 ' H ' ' A' ' 103' ' ' SER . 11.9 p -71.63 -27.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t 54.06 42.9 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.478 ' H ' HG13 ' A' ' 101' ' ' VAL . 1.5 t -168.16 163.64 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -98.66 106.35 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.6 p -78.64 77.47 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -44.75 -53.2 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.471 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -172.52 171.74 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -174.34 175.01 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.92 132.24 3.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -171.21 168.02 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -149.92 155.94 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -124.68 94.32 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.71 -176.89 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.9 tp10 -91.45 127.04 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 60.9 mt -153.51 162.72 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -158.64 138.08 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 t -43.95 105.32 0.43 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 16' ' ' GLY . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 40' ' ' ALA . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' VAL . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -59.58 -47.39 85.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.16 -63.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HD2' HD21 ' A' ' 38' ' ' LEU . 23.7 mtp180 -47.61 -33.07 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -74.41 -55.51 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 8.2 pttp -84.13 47.33 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.44 -40.97 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -127.83 69.2 76.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HG2' HD23 ' A' ' 48' ' ' LEU . 53.4 Cg_endo -69.79 -50.31 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.625 2.217 . . . . 0.0 112.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD23 ' HG2' ' A' ' 47' ' ' PRO . 2.3 pt? -134.07 25.82 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 54.7 38.39 29.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.06 52.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.91 -44.17 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.4 p -85.17 134.34 34.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.49 -48.97 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -41.62 114.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -107.17 -61.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -68.13 144.09 55.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 tp -47.37 -46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.28 113.29 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.14 -59.75 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.72 176.94 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -107.58 130.82 54.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.72 151.17 39.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.04 55.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' HIS . 12.8 p-80 -90.88 -22.99 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.98 133.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 90' ' ' PRO . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' HG13 ' A' ' 79' ' ' VAL . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 82' ' ' THR . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' HIS . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD22 ' ND2' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.732 ' ND2' HD22 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.37 -31.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -54.62 -47.53 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.48 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 96' ' ' ILE . 11.4 mm -78.39 45.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.96 140.57 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -79.15 -58.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.64 -174.91 26.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -90.95 42.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.9 42.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 m -113.9 -51.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.6 m -43.37 -53.43 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.13 -148.81 19.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.42 35.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -128.17 126.78 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.7 m -85.71 111.98 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.541 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -148.32 173.85 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -84.18 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.74 -43.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p 43.71 42.59 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p 38.18 42.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 126.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -97.91 124.34 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.78 150.14 23.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ttmp? -170.44 167.22 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 8.1 t -36.54 105.15 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' LEU . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 17' ' ' CYS . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -60.74 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -46.85 -58.97 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -64.22 -45.55 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' LYS . 37.2 mm-40 -47.03 -46.08 21.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -36.93 111.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -146.76 139.38 25.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.3 80.92 71.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.22 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tp 54.96 41.75 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -112.73 171.45 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . 113.64 118.11 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.43 -53.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -119.73 84.04 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' A' ' 50' ' ' GLY . 4.2 mm? -71.39 -48.4 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -78.95 -49.19 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.54 40.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 109.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 58' ' ' ASN . 83.3 mt -79.47 43.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.6 p-10 33.78 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -147.8 117.51 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -115.89 101.0 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -40.24 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.96 155.7 80.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 138.47 38.05 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.2 p-80 -169.17 132.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' HIS . 50.9 t -34.9 135.54 0.41 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 91' ' ' LEU . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 82' ' ' THR . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 HG23 ' A' ' 81' ' ' VAL . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' HG22 ' A' ' 76' ' ' VAL . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' SG ' ' A' ' 70' ' ' CYS . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG12 ' A' ' 95' ' ' VAL . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -40.12 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' ASN . 30.0 mm-40 -64.72 -44.74 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 92' ' ' ASN . 8.7 p -64.18 -25.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 93' ' ' ALA . 77.6 mt -64.14 123.88 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -174.17 148.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 101.99 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.3 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -76.3 100.74 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.42 150.14 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 p -128.57 94.46 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.5 m -131.95 141.37 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -100.7 105.1 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 54.0 Cg_endo -69.75 87.7 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -157.18 127.14 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 p -109.9 145.13 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.442 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -174.14 159.88 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -175.05 172.88 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 143.39 3.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -162.09 147.08 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -171.19 171.72 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.98 -170.52 42.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 178.53 4.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -153.82 120.88 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.6 mt -152.07 121.51 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' CYS . 6.4 ptmm? -165.45 -176.87 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 36.4 t -33.68 109.73 0.34 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.75 -51.18 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -49.5 -43.17 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLN . 13.9 ttt180 -41.91 -40.86 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ARG . 26.9 pt20 -36.04 -39.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -94.85 87.59 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.37 -51.99 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 38.8 m-20 -114.07 105.73 53.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -154.9 119.96 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -135.83 143.29 45.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.54 137.2 9.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.34 -59.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -129.91 86.39 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.84 88.99 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 p -127.28 98.58 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.96 85.65 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -99.95 -49.14 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 57' ' ' LEU . 4.1 pp -102.99 40.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -97.75 40.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' GLN . 15.5 mttp -120.04 -43.35 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -35.25 145.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -107.07 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -86.27 153.83 56.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 64' ' ' HIS . 54.1 Cg_endo -69.75 -164.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' PRO . 9.9 p80 -35.47 133.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.2 t -34.75 133.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD12 ' A' ' 91' ' ' LEU . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.498 ' N ' HG23 ' A' ' 76' ' ' VAL . 9.2 m120 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.519 ' SG ' HD22 ' A' ' 67' ' ' LEU . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.11 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.27 -35.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 97' ' ' LYS . 96.0 t -86.41 -42.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' VAL . 32.1 mm -36.94 -28.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 95' ' ' VAL . 19.0 pttm -37.53 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -4.78 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.65 96.03 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -80.59 -61.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.05 149.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -141.01 105.93 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t -55.72 124.74 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.9 177.3 23.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.1 p -70.17 164.04 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -72.97 119.34 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.499 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.15 177.22 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -154.38 177.68 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.32 -159.38 10.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.48 155.99 38.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -124.1 178.26 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.37 134.01 4.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -133.64 142.02 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -141.07 165.77 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.82 160.22 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 27.4 t -39.17 105.12 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 0.8 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.587 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 17' ' ' CYS . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -64.61 -47.41 78.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -64.49 -44.17 91.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -59.97 -36.1 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -86.49 42.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -110.98 91.6 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 46' ' ' ASN . 22.7 tp10 -111.52 158.85 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 8.0 m120 -97.18 103.52 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.739 2.292 . . . . 0.0 112.338 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 47' ' ' PRO . 2.2 mp -153.95 161.25 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -93.46 162.3 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.09 138.33 7.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.39 137.27 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mp -40.9 146.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.1 t -121.53 149.77 42.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' SER . 12.9 t90 -35.46 -43.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -80.28 97.12 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.99 136.59 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -104.83 84.2 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -138.69 132.46 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.79 162.76 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -95.77 129.77 42.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -107.47 148.84 37.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 145.41 56.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -69.77 177.21 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.35 128.59 2.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 90' ' ' PRO . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' CD2' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CD2' HG23 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.467 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.49 ' O ' HD12 ' A' ' 96' ' ' ILE . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -42.37 -59.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -40.95 -41.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 39.4 t -55.78 -67.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 96' ' ' ILE . 4.9 mp -35.15 -44.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.4 tttm -37.23 138.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -134.07 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.03 -108.12 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -108.06 123.17 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.52 -22.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -54.39 -44.78 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.3 p -112.5 121.28 44.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -164.92 114.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.43 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -113.83 130.5 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m -69.63 120.38 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -110.09 155.95 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.38 157.18 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 134.87 4.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -133.52 175.04 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -164.4 142.1 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.84 90.34 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 107.83 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -168.58 133.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.61 124.75 34.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 ttmt -138.62 158.45 44.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 41.7 t -35.48 104.4 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 38' ' ' LEU . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -65.77 -46.26 79.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -46.02 -45.92 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -97.05 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -58.25 -57.8 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -114.62 -61.57 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.27 117.74 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.15 5.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -129.64 103.65 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.61 126.76 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.39 -157.06 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.19 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -152.21 114.21 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.95 41.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -84.18 89.79 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -127.06 41.88 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -120.77 -25.44 5.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -86.74 -43.82 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -93.93 -37.79 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASN . 5.9 pttp 34.37 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.556 ' NE2' HD12 ' A' ' 62' ' ' LEU . 7.8 tp60 -117.05 130.73 56.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 tt0 -86.79 37.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' NE2' ' A' ' 60' ' ' GLN . 8.1 mt -148.8 130.76 7.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 160.15 50.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -128.48 176.52 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.24 135.41 93.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.777 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 86' ' ' LEU . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 91' ' ' LEU . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 90' ' ' PRO . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.639 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 1.2 p-10 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.639 HG22 ' HB3' ' A' ' 77' ' ' ASN . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 82' ' ' THR . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CD ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 95' ' ' VAL . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.536 ' ND2' HD22 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.7 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.94 -24.63 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 91' ' ' LEU . 99.2 t -81.46 -37.14 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -44.49 -62.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 49.98 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -165.27 167.94 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 -158.27 20.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -133.41 147.29 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' VAL . 8.3 p -118.07 127.51 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -42.98 125.89 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.0 m -92.36 -45.85 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.94 150.49 21.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.87 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -119.47 119.45 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -109.57 174.8 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -147.01 146.75 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -153.03 169.25 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.71 155.95 26.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -150.4 156.54 41.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -173.48 152.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.02 139.23 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 163.32 38.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.46 140.66 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.18 157.8 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.3 ptmt -174.07 167.92 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 t -33.92 105.36 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.644 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 28' ' ' THR . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -54.41 -43.12 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.4 -58.83 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLN . 9.9 mtp-105 -45.26 -43.3 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ARG . 38.2 tp60 -34.18 -45.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLU . 6.2 ttpm? -46.0 -57.72 4.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' LYS . 19.8 tt0 34.89 52.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 8.4 p-10 -97.05 107.68 39.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.5 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' ASN . 2.7 tt -35.88 -61.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' LEU . 4.9 t30 -35.75 114.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.94 82.34 1.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.4 113.35 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -147.86 165.06 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.74 -46.28 40.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -131.1 127.86 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -41.11 -48.39 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.59 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' C ' HD23 ' A' ' 57' ' ' LEU . 9.9 tt -67.08 -51.4 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -69.27 144.98 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -95.66 -45.4 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -130.75 -34.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.59 111.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -50.86 143.81 14.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.02 2.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.36 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -174.85 164.21 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.62 128.16 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG23 ' N ' ' A' ' 77' ' ' ASN . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 79' ' ' VAL . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.6 m120 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CD2' HG23 ' A' ' 79' ' ' VAL . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -56.07 -42.56 76.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -62.3 -46.75 87.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 91' ' ' LEU . 97.4 t -56.69 -45.42 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 93' ' ' ALA . 41.6 mt -51.39 125.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -167.49 129.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tttp 43.38 40.69 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.56 -141.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.25 120.76 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.84 171.52 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -72.39 162.87 28.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -111.72 172.9 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.62 140.62 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.05 22.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' SER . 85.9 p -75.79 115.23 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' SER . 11.4 t -34.12 -58.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -149.24 107.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -154.93 173.16 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 167.96 6.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -110.23 42.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m 38.77 50.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.597 ' C ' HD23 ' A' ' 10' ' ' LEU . . . 57.85 87.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' N ' HD23 ' A' ' 10' ' ' LEU . 54.4 Cg_endo -69.69 110.76 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 58.85 43.2 18.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' C ' ' A' ' 7' ' ' GLY . 4.3 mm? -97.11 125.43 41.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -151.92 177.84 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.445 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t -46.65 107.9 0.77 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 40' ' ' ALA . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -59.92 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -44.7 -44.27 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.28 -40.85 87.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -115.35 68.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -42.42 131.85 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -140.22 161.79 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.77 80.93 55.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 52.02 43.55 30.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -47.07 -44.92 21.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.72 82.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.78 109.75 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -69.71 132.43 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -97.23 -44.68 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 m -90.69 91.8 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -119.91 -55.7 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.37 -43.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.52 174.26 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -112.22 -47.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -56.64 149.39 17.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 tp-100 -140.65 121.76 14.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' LEU . 51.9 tt0 -136.48 157.07 47.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -80.61 160.08 67.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.57 0.7 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 53.6 Cg_endo -69.76 149.34 66.78 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 1.8 m-70 -174.22 129.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' HIS . 42.7 t -36.03 134.35 0.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 91' ' ' LEU . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.645 ' O ' HG13 ' A' ' 79' ' ' VAL . 18.3 m120 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 79' ' ' VAL . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.849 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.52 -61.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -36.76 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 91' ' ' LEU . 74.6 t -62.19 -35.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 97' ' ' LYS . 94.5 mt -37.51 -27.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' VAL . 7.2 pttp -35.7 104.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -83.61 90.64 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.33 -100.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -153.75 137.15 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.88 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m -83.28 110.63 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 t -154.39 158.64 40.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 154.12 18.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.97 24.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.6 m -120.68 176.19 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -111.09 174.9 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.481 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -154.62 172.87 17.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -114.01 -60.21 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.61 172.68 14.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -159.82 176.44 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -132.97 178.57 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 145.53 14.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -172.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.15 98.62 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 4.3 mm? -89.36 161.74 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -155.61 138.17 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.9 t -37.74 107.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 16' ' ' GLY . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 23' ' ' ILE . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -76.38 -47.28 23.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -47.66 -43.3 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.71 -38.52 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -75.42 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -59.59 122.72 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.6 mm-40 -132.54 167.37 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . 18.0 t-20 -36.4 110.61 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -174.64 -178.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -158.21 126.82 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.55 -157.65 14.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 80.36 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -160.27 121.68 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 40.58 43.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -78.36 148.07 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -148.32 156.5 42.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -45.09 110.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -170.12 156.01 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 m120 71.24 38.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -54.11 -41.31 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 34.5 tt0 -39.03 149.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 4.7 pt-20 -72.14 148.95 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.765 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.0 mp -38.79 152.33 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.46 12.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 34.7 m-70 -106.16 -24.04 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 48.4 t -179.89 121.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 91' ' ' LEU . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.603 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.643 ' CD2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 64' ' ' HIS . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -42.61 -44.6 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -59.55 -45.47 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 91' ' ' LEU . 88.7 t -56.97 -55.8 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 93' ' ' ALA . 20.6 mt -42.73 -43.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -38.48 110.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -59.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.9 90.96 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -157.03 130.42 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.96 139.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -155.48 139.76 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t 41.57 33.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.18 -74.11 1.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -2.3 9.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.2 t -49.6 136.83 16.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.9 p -78.56 138.49 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -86.01 -57.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -171.89 174.2 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.11 -90.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p 39.32 41.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -107.25 172.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.13 138.85 6.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.3 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -111.98 130.54 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -85.08 128.73 34.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 20.6 pttt -162.53 160.7 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 40.2 t -34.88 101.91 0.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 40' ' ' ALA . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 38' ' ' LEU . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -58.11 -42.36 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 41' ' ' LYS . 4.6 tmmm? -75.43 -49.02 20.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -55.11 -48.69 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -78.5 -57.12 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt 58.56 39.44 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.08 171.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 m-80 -106.21 99.89 26.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 54.2 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tp 59.91 41.32 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -43.36 137.77 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.23 -80.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 42.36 40.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -85.21 128.81 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.0 pp -87.02 43.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -110.87 125.47 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -159.02 130.07 6.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -175.7 179.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -118.64 94.51 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' LYS . 4.1 m120 -117.58 -42.42 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER 32.45 47.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -120.1 115.98 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -39.62 113.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -58.88 155.48 31.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.35 12.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.228 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 64' ' ' HIS . 1.7 p80 -83.28 41.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -177.76 135.06 0.36 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' PRO . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.771 ' O ' HG13 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.7 p-10 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CD2' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.495 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' VAL . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -37.73 -33.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -46.13 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' ILE . 97.9 t -66.65 -42.63 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' VAL . 42.9 mm -33.64 -54.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.6 tppt? 37.22 54.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 132.29 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.82 14.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.77 148.84 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.73 -2.11 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.7 m -111.17 84.23 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.8 p -129.67 84.31 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.3 -73.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 139.14 39.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -119.45 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -125.38 -56.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -168.55 163.25 12.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -123.43 175.88 6.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 177.38 20.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -138.37 151.94 47.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -111.05 -59.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 137.7 2.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -174.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.9 139.92 41.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.58 145.02 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' CYS . 8.6 mptt -135.98 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 37.5 t -36.51 99.14 0.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.72 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -64.68 -50.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -44.64 -33.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -89.66 -36.41 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -55.64 -45.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -56.52 127.96 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASN . 11.5 tt0 -104.04 151.3 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 8.3 p30 36.24 53.41 2.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.8 Cg_endo -69.74 -5.6 16.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 6.0 tp -33.83 117.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -118.18 -46.64 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.22 4.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 88.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.1 p -121.95 172.26 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mp -47.65 119.37 2.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.2 m -74.08 -49.13 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -162.82 145.78 10.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 143.67 26.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' LEU . 2.1 pp -120.6 37.67 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.07 -46.08 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -103.21 176.87 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 18.2 pt20 -96.32 -49.17 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 44.9 mt-10 -104.94 75.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.822 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.53 153.42 87.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.77 3.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.634 ' HB2' HD21 ' A' ' 62' ' ' LEU . 13.2 t-160 -162.55 118.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t -40.79 126.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.804 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.804 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 7.5 p30 -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' OD1' ' A' ' 77' ' ' ASN . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.628 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -52.15 -43.75 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' ILE . 99.4 t -62.58 -42.22 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' VAL . 49.0 mm -34.73 -42.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.2 116.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -64.73 153.41 39.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.51 -69.73 0.45 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -58.13 129.7 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.1 131.6 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.2 m -128.3 87.54 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -134.71 42.02 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.41 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.01 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.0 m -111.75 135.74 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.7 p -156.39 133.28 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -159.85 161.77 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -173.29 177.85 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 -105.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m 55.25 48.6 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.806 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -55.27 165.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.17 135.17 4.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 165.15 31.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' LEU . 2.6 tp10 -172.37 161.94 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.0 mm? -33.87 130.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' CYS . 60.1 mttt -157.23 -178.39 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' LYS . 13.3 t -34.35 108.06 0.32 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.6 ' HA ' HD13 ' A' ' 38' ' ' LEU . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.46 -50.16 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -41.72 -36.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -49.25 72.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' LYS . 8.3 pt20 -71.5 -30.35 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 22.0 ttpt -138.46 119.16 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -103.14 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 2.1 p30 -127.41 89.0 52.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.75 -1.4 8.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -34.89 144.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.92 172.71 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.53 145.73 17.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.84 133.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 m -144.01 136.46 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -147.85 115.28 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -84.51 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -161.89 170.5 19.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -45.69 139.98 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -157.88 139.76 14.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -100.6 44.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' HD12 ' A' ' 62' ' ' LEU . 19.7 mmtm 63.48 42.13 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -112.72 139.16 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 45.64 39.69 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.52 155.96 87.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.296 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -62.05 179.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t -38.21 120.47 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.476 ' SG ' HD13 ' A' ' 91' ' ' LEU . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.865 ' O ' HG13 ' A' ' 79' ' ' VAL . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 77' ' ' ASN . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 66' ' ' PRO . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD13 ' SG ' ' A' ' 70' ' ' CYS . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.86 -24.01 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.81 -34.66 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.97 -30.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' LYS . 42.0 mm -44.69 -39.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ILE . 4.3 mmmm -37.78 97.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.85 169.52 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LYS . . . 35.72 -116.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -105.95 149.89 26.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.6 130.42 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -97.76 97.9 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.8 p -49.11 149.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.52 143.7 21.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.19 11.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -114.28 112.98 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.4 p -94.92 41.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.522 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -170.0 169.89 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -132.83 176.3 8.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.75 -168.12 39.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -155.8 175.9 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -152.01 163.07 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.69 103.51 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.47 30.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -125.21 151.49 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.52 139.15 49.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 159.82 43.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 10.6 t -42.76 108.08 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 17' ' ' CYS . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -67.33 -39.26 85.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -77.71 -48.06 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -43.48 -38.09 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -84.09 45.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -78.95 -35.31 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.23 155.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -97.98 102.69 14.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -153.63 141.84 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 148.6 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.81 157.46 24.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.79 147.45 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 p -122.88 92.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 54' ' ' SER . 1.1 pt? -38.73 -35.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 46.2 m -165.29 157.4 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -163.98 123.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -152.9 123.85 7.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 58' ' ' ASN . 10.0 tt -150.86 152.94 34.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.723 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.9 t30 -82.15 97.13 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 62' ' ' LEU . 2.3 ttmm -107.22 151.89 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -144.59 140.92 29.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 46.55 45.61 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.817 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -39.04 153.2 0.17 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.77 28.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -105.18 171.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t -43.64 122.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.553 ' HB3' HG22 ' A' ' 79' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 66' ' ' PRO . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -50.27 -46.81 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.29 -41.82 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.08 -47.35 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 93' ' ' ALA . 90.2 mt -44.48 -43.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.2 tttm -36.82 118.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -93.04 -29.23 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.37 -177.78 44.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -59.56 146.97 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.96 149.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -104.86 169.58 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t 41.12 42.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.77 -65.63 2.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.15 10.81 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -112.39 98.2 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.8 t -148.88 126.45 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -148.59 149.04 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -99.26 -57.46 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 -173.42 15.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -167.07 113.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -58.22 -61.72 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 95.64 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.6 14.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -142.72 143.81 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.9 mt -150.3 148.91 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.71 150.65 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 9.1 t -42.54 105.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' THR . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -64.32 -26.79 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.18 -42.94 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.69 -49.3 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 14.2 pt20 -47.95 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 15.5 ptmt -81.64 80.27 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.1 109.86 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -127.83 79.37 73.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.7 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -33.5 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 33.6 m-20 -173.95 171.87 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.25 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.28 -61.37 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.1 t -91.33 -49.38 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.16 169.54 17.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -77.88 -60.03 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 67.3 t90 -141.74 105.74 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -92.2 150.66 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -108.13 -53.18 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.54 95.89 5.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -110.84 -69.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -128.25 145.85 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.3 116.73 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 62' ' ' LEU . 1.7 pp -144.95 143.68 21.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.594 0.711 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.04 27.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' HB3' ' CB ' ' A' ' 84' ' ' ARG . 35.5 t-80 -129.33 136.89 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t -178.94 134.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 82' ' ' THR . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' HIS . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.794 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.459 ' SG ' HD22 ' A' ' 67' ' ' LEU . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.794 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.78 -50.92 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -47.38 -44.11 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 88.7 t -68.53 -45.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 48.1 mm -35.15 -40.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.8 mtpp -35.7 131.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -149.8 157.18 42.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.36 131.42 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.96 132.3 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -101.8 132.79 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 p -49.29 113.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -150.33 152.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.97 -178.44 51.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 160.04 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -41.44 -50.34 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.486 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 143.91 50.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -102.92 -41.26 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 172.3 48.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -132.67 178.93 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.832 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 123.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -117.42 121.7 41.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.65 153.46 20.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -174.51 -179.74 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 15.0 t -34.44 104.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.79 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.79 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' GLN . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.72 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -76.64 -46.42 25.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.622 ' HG3' HD23 ' A' ' 38' ' ' LEU . 20.8 mtp85 -40.5 -30.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 39' ' ' ALA . 1.3 mp0 -83.53 40.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -133.43 76.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' ASN . 22.9 mt-10 -122.45 -48.2 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 45' ' ' GLU . 12.4 t-20 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 53.3 Cg_endo -69.76 -48.58 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.215 . . . . 0.0 112.322 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp 48.65 41.47 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -44.55 126.86 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -154.61 25.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.54 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' LEU . 10.5 p -132.71 -50.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' SER . 54.2 mt 34.85 43.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -146.48 123.37 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.483 ' CE3' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -66.89 170.83 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 8.3 ptpt -81.5 42.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 tp -93.76 46.81 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -92.36 99.34 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -69.76 146.29 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -106.43 162.65 13.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.96 154.8 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.09 160.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.82 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' CYS . 60.1 m80 -92.85 156.99 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 37.9 t -33.96 134.53 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.539 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.728 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.807 HG12 ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD22 ' OD1' ' A' ' 92' ' ' ASN . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.539 ' SG ' HD22 ' A' ' 67' ' ' LEU . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.807 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.604 ' O ' HG12 ' A' ' 95' ' ' VAL . 11.5 t-20 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.5 -20.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -78.17 -37.02 46.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 92' ' ' ASN . 9.8 p -84.28 -30.5 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mt -48.53 -23.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 144.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -103.89 -54.62 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 98.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 10.9 tptm 68.13 54.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' LYS . 60.8 t -34.03 -50.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 m -144.58 132.81 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.4 p -53.45 171.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.21 -123.93 7.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.09 47.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -124.56 103.95 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.3 p -100.03 112.61 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.447 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -99.86 157.87 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -164.98 177.38 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -162.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -172.77 175.29 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -148.0 176.78 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.36 123.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.226 . . . . 0.0 112.381 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -128.28 173.2 10.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.61 122.73 22.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -166.57 160.53 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t -48.68 108.56 0.97 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 36' ' ' CYS . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 28' ' ' THR . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 21' ' ' GLY . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.89 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -80.58 -30.86 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' NE ' ' OE1' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -54.86 -36.18 64.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -42.54 -24.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ARG . 15.9 tttp -130.8 76.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' OE1' ' NE ' ' A' ' 42' ' ' ARG . 72.6 tt0 -129.81 97.95 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -110.69 87.49 6.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 3.02 3.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -39.29 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -94.16 107.13 19.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.36 -41.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -35.8 125.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -148.99 157.27 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.69 131.08 28.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 p -132.74 -45.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.78 169.6 14.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -115.3 -58.02 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -113.67 108.14 16.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 27.3 m-20 -174.34 109.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -96.97 110.92 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -174.17 109.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.26 106.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.7 mt -114.93 152.74 46.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.98 13.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 84' ' ' ARG . 15.8 m170 -117.39 38.0 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t -104.35 138.52 19.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.437 ' SG ' HD13 ' A' ' 91' ' ' LEU . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 73' ' ' LEU . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 71' ' ' ASN . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 90' ' ' PRO . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.517 ' HB3' HG22 ' A' ' 79' ' ' VAL . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' H ' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 82' ' ' THR . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' HD21 ' A' ' 48' ' ' LEU . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' OD1' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.493 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.722 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.636 ' OD1' HD22 ' A' ' 86' ' ' LEU . 11.8 t-20 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.12 -62.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -48.18 -41.74 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.09 -49.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LYS . 86.4 mt -50.48 -47.69 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' ILE . 27.0 ttpt 35.66 50.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.74 -105.54 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 51.55 38.86 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 101' ' ' VAL . 34.8 m -45.57 121.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 28.8 t -69.95 89.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' SER . 95.4 p 34.44 41.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.61 -172.39 22.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 t -112.74 42.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 p -58.83 162.47 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.432 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.3 m -68.66 -46.92 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -36.74 154.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.51 -174.22 27.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -171.93 136.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -163.51 160.29 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.96 148.06 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -88.57 119.29 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.02 163.17 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' CYS . 28.9 pttt -146.64 150.22 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.1 t -34.89 102.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' LEU . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -69.49 -37.72 77.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -65.78 -38.04 87.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' HD2' HD23 ' A' ' 38' ' ' LEU . 21.3 mtt-85 -75.02 -60.47 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.9 pt20 -46.19 -41.33 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLN . 31.4 tttt -36.71 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -118.64 -44.88 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -66.63 114.77 19.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.78 6.71 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -30.76 142.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.603 ' N ' HD22 ' A' ' 48' ' ' LEU . 4.6 m-20 -107.6 -64.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.48 -139.44 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.32 -178.49 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -108.61 124.62 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.9 mt -121.98 122.55 39.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.6 p -119.33 141.76 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -111.75 87.39 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -119.08 44.37 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.9 mp -111.33 136.65 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -56.0 -52.41 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.33 157.39 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -160.09 124.6 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -113.53 156.1 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD13 ' NH2' ' A' ' 84' ' ' ARG . 27.5 mt -67.81 127.03 93.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -87.35 157.46 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t -42.82 134.06 2.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.574 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.845 ' SG ' HD11 ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.61 ' HB3' HG22 ' A' ' 79' ' ' VAL . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.9 p-10 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 77' ' ' ASN . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' N ' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' NH2' HD13 ' A' ' 62' ' ' LEU . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.574 ' SG ' HD22 ' A' ' 67' ' ' LEU . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.742 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.845 HD11 ' SG ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.65 -61.4 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -42.73 -27.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' LEU . 61.2 t -74.85 -48.59 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.3 mt -53.85 124.63 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 1.9 ttmp? -174.22 152.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' LYS . 37.9 tttt -123.08 -51.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.87 51.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -126.69 117.09 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.55 41.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -68.84 -42.9 76.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -86.49 134.14 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.99 -96.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 90.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 p -42.52 -54.66 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.5 p 43.03 43.46 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.539 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -153.94 159.28 41.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -167.64 167.9 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 144.8 6.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -165.37 159.95 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -162.52 163.85 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.97 108.04 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.18 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -131.65 129.98 41.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.57 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 pttm -152.93 139.41 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' LYS . 46.2 t -34.1 98.73 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.23 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -48.1 -54.38 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -70.93 -50.37 35.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -88.52 47.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ASN . 12.7 mt-10 -62.49 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 45' ' ' GLU . 6.2 m120 -33.73 111.33 0.38 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -52.34 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.366 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -160.01 179.26 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -162.88 156.47 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.74 -158.13 15.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.61 -61.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -94.5 160.12 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.582 ' H ' HD23 ' A' ' 53' ' ' LEU . 1.2 pt? -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -80.95 155.59 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -47.09 112.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.33 150.43 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.17 171.65 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.21 156.15 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.91 -49.08 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.24 126.59 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -125.09 110.31 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 84' ' ' ARG . 1.8 pp -46.96 156.94 0.5 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.2 54.31 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.7 m-70 -77.47 173.87 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' HIS . 49.8 t -37.26 134.76 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 77' ' ' ASN . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.747 ' HG3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD22 ' CG ' ' A' ' 92' ' ' ASN . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HG2' HD12 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.662 ' O ' HG12 ' A' ' 95' ' ' VAL . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -72.91 -31.26 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -74.57 -41.06 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 92' ' ' ASN . 2.7 p -60.81 -22.47 26.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 96.0 mt -47.83 -34.63 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 98' ' ' LYS . 12.6 ptmm? 35.36 50.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -29.19 141.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.24 -134.31 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -91.84 111.12 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.91 94.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -89.11 81.09 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -65.48 99.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.46 136.4 14.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 126.78 13.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -57.55 160.58 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.6 p -90.33 166.99 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -56.01 -52.6 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -57.52 165.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -135.88 4.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -125.64 172.26 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -118.26 -49.77 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.05 93.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.421 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 10.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -132.36 137.33 47.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 11' ' ' LYS . 39.2 tp -96.5 160.13 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 10' ' ' LEU . 3.4 mptt -153.15 178.63 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' LYS . 22.7 t -36.04 105.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 16' ' ' GLY . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' SER . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' THR . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 38' ' ' LEU . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -43.3 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HG3' HD23 ' A' ' 38' ' ' LEU . 15.8 mtp85 -53.88 -51.73 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' ARG . 9.9 mt-30 -35.71 -44.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -109.24 80.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -92.9 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 65.8 t30 53.18 54.11 12.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.77 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pp -161.18 163.03 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -126.5 106.56 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.04 -53.68 0.53 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.88 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -170.77 -179.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.9 mt 53.75 45.05 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.545 ' HA ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -34.35 -56.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' SER . 90.7 m95 -35.57 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 46.95 39.93 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -51.49 133.19 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.634 ' N ' HD13 ' A' ' 57' ' ' LEU . 35.6 m120 -40.07 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -112.74 164.78 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 pm0 -117.2 40.44 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' LEU . 9.1 pt-20 -43.89 112.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.806 HD13 ' HD3' ' A' ' 84' ' ' ARG . 18.3 mt -34.49 151.7 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -68.9 168.2 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t -43.19 132.55 3.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.528 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 77' ' ' ASN . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.806 ' HD3' HD13 ' A' ' 62' ' ' LEU . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -45.35 -51.34 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -53.31 -41.3 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.46 -32.22 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 93' ' ' ALA . 7.4 mt -84.68 50.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.34 129.55 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 127.29 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.75 -30.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 149.86 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.17 139.0 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.6 t -137.12 161.77 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 m -61.53 105.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . 171.06 98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.54 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.76 96.91 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.624 2.216 . . . . 0.0 112.384 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 m -105.82 135.26 47.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -126.44 135.56 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 14.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 16' ' ' GLY . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.537 ' HA ' HD13 ' A' ' 38' ' ' LEU . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 90' ' ' PRO . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.611 ' HB3' HG22 ' A' ' 79' ' ' VAL . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 77' ' ' ASN . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 25.3 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLY . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 90' ' ' PRO . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 16' ' ' GLY . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 40' ' ' ALA . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' VAL . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 90' ' ' PRO . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' HG13 ' A' ' 79' ' ' VAL . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 82' ' ' THR . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD22 ' ND2' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.732 ' ND2' HD22 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 8.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' LEU . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 17' ' ' CYS . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 91' ' ' LEU . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 82' ' ' THR . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 HG23 ' A' ' 81' ' ' VAL . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' HG22 ' A' ' 76' ' ' VAL . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' SG ' ' A' ' 70' ' ' CYS . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.47 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD12 ' A' ' 91' ' ' LEU . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.498 ' N ' HG23 ' A' ' 76' ' ' VAL . 95.6 m-20 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.519 ' SG ' HD22 ' A' ' 67' ' ' LEU . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 27.4 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.587 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 17' ' ' CYS . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 90' ' ' PRO . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 96.7 m-20 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' CD2' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CD2' HG23 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.467 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 41.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 38' ' ' LEU . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.777 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 86' ' ' LEU . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 91' ' ' LEU . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 90' ' ' PRO . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.639 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 12.4 p30 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.639 HG22 ' HB3' ' A' ' 77' ' ' ASN . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 82' ' ' THR . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CD ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.637 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.536 ' ND2' HD22 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 3.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.644 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 28' ' ' THR . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG23 ' N ' ' A' ' 77' ' ' ASN . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 79' ' ' VAL . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CD2' HG23 ' A' ' 79' ' ' VAL . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.445 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 40' ' ' ALA . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 91' ' ' LEU . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.645 ' O ' HG13 ' A' ' 79' ' ' VAL . 87.0 m-20 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 79' ' ' VAL . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 70' ' ' CYS . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 5.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 16' ' ' GLY . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 23' ' ' ILE . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 91' ' ' LEU . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.603 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.643 ' CD2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 40.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 40' ' ' ALA . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 38' ' ' LEU . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' PRO . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.771 ' O ' HG13 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p30 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CD2' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.495 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 37.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.72 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.654 ' CE1' ' OD1' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.902 ' ND2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.6 ' N ' HD22 ' A' ' 77' ' ' ASN . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.902 HG22 ' ND2' ' A' ' 77' ' ' ASN . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.628 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.6 ' HA ' HD13 ' A' ' 38' ' ' LEU . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.476 ' SG ' HD13 ' A' ' 91' ' ' LEU . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.865 ' O ' HG13 ' A' ' 79' ' ' VAL . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 77' ' ' ASN . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 66' ' ' PRO . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD13 ' SG ' ' A' ' 70' ' ' CYS . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 10.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 17' ' ' CYS . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.553 ' HB3' HG22 ' A' ' 79' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 66' ' ' PRO . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 9.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' THR . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 82' ' ' THR . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.459 ' SG ' HD22 ' A' ' 67' ' ' LEU . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.794 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 15.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.79 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.79 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.539 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.728 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.807 HG12 ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' ND2' ' A' ' 92' ' ' ASN . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.539 ' SG ' HD22 ' A' ' 67' ' ' LEU . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.807 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 86' ' ' LEU . 38.6 t30 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 36' ' ' CYS . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 28' ' ' THR . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 21' ' ' GLY . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.437 ' SG ' HD13 ' A' ' 91' ' ' LEU . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 73' ' ' LEU . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 71' ' ' ASN . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 90' ' ' PRO . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.517 ' HB3' HG22 ' A' ' 79' ' ' VAL . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' H ' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 82' ' ' THR . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' ND2' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.493 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.722 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.785 ' ND2' HD22 ' A' ' 86' ' ' LEU . 46.3 t30 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 7.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' LEU . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.574 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.845 ' SG ' HD11 ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.61 ' HB3' HG22 ' A' ' 79' ' ' VAL . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 p30 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 77' ' ' ASN . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' N ' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.574 ' SG ' HD22 ' A' ' 67' ' ' LEU . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.742 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.845 HD11 ' SG ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 77' ' ' ASN . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD22 ' CG ' ' A' ' 92' ' ' ASN . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HG2' HD12 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.558 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 22.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 16' ' ' GLY . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' SER . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' THR . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 38' ' ' LEU . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.528 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 77' ' ' ASN . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -66.4 -32.47 73.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -162.63 161.21 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.92 -164.43 25.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -150.3 140.6 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 t -145.96 160.84 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.29 138.57 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.46 69.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -141.38 165.73 26.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 24.3 mt -41.71 163.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.73 149.23 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 14.9 t -54.16 108.13 1.05 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.73 -9.92 27.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.99 108.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 16' ' ' GLY . 39.9 mm -58.33 153.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.82 -34.01 2.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.537 ' HA ' HD13 ' A' ' 38' ' ' LEU . 9.9 t -63.47 164.37 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 -19.85 15.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 91.72 -22.58 30.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -80.03 153.76 28.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.84 39.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.2 t-80 -157.04 135.79 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -58.17 -15.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -40.4 13.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.67 -42.53 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -56.41 -49.5 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 62.6 m-85 -84.91 141.42 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.6 p -105.0 32.6 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -170.87 161.03 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' CE1' ' C ' ' A' ' 19' ' ' GLY . 54.3 p-80 -160.43 153.96 22.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 3.2 mtm-85 -133.26 16.07 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 162.15 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.99 73.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.7 p -52.75 -36.5 57.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.25 3.98 56.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -75.32 112.51 19.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.753 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.74 -30.83 21.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.235 . . . . 0.0 112.42 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.8 tt -67.34 -42.62 83.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -23.94 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -89.19 -36.42 15.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -58.71 -32.53 69.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -61.64 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 44' ' ' LYS . 5.3 pt20 -49.45 -35.28 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 37.6 pttt -100.5 167.84 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -131.25 86.51 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -125.65 81.15 65.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.69 -0.96 7.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PRO . 24.4 tp -35.48 -62.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -84.73 149.62 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.43 126.21 54.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -135.38 139.95 44.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.53 84.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 m -107.68 89.47 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.509 ' O ' HD23 ' A' ' 57' ' ' LEU . 30.3 p-90 -174.55 123.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm 58.55 39.64 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 55' ' ' TRP . 3.5 mm? -108.0 101.21 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 59' ' ' LYS . 11.8 p30 -69.1 -54.03 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 39.6 mttm -96.17 90.28 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -129.18 88.84 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.68 159.93 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 mp -99.03 151.36 37.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 174.2 9.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -127.61 72.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.52 137.2 20.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.41 3.45 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.765 2.31 . . . . 0.0 112.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -53.7 131.97 56.05 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.52 91.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 t -64.94 133.65 52.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.27 27.56 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.9 20.42 26.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -109.71 127.03 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.42 -176.65 16.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -165.2 139.24 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 90' ' ' PRO . 28.8 m -61.03 -41.33 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.611 ' HB3' HG22 ' A' ' 79' ' ' VAL . 37.2 t30 -62.6 -7.96 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 77' ' ' ASN . 10.6 m -133.47 -46.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 79' ' ' VAL . 71.2 m-85 -97.65 -177.23 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.28 10.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -134.57 159.46 41.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 83' ' ' HIS . 29.5 p-80 -170.36 123.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 18.0 mtm105 -112.4 46.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -174.72 167.86 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 89' ' ' CYS . 10.3 mt -69.44 -59.37 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 t -39.9 -34.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.85 -28.94 22.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 86' ' ' LEU . 37.5 t -56.07 112.21 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -29.46 23.86 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.8 mp -80.4 -17.55 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -88.39 -31.21 18.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.85 -56.58 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -51.97 -41.37 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.43 -41.58 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.7 mm -41.29 128.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -174.28 122.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -101.14 107.16 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.37 40.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' VAL . 27.9 mttp -73.46 83.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LYS . 90.8 t -35.74 -58.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.1 p -66.02 120.92 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.0 t -139.18 114.95 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.22 94.89 0.86 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.76 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.7 p -46.39 131.19 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -117.94 42.71 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -74.93 -49.49 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -81.49 166.49 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 -178.38 39.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -112.07 136.84 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -166.73 160.3 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 85.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 126.65 13.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -166.75 139.74 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 11' ' ' LYS . 46.1 tp -99.1 163.72 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 10' ' ' LEU . 31.1 tttp -167.08 161.52 14.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 25.3 t -34.5 100.87 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.8 Cg_endo -69.75 -9.93 27.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.68 118.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLY . 50.4 mm -61.87 152.95 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.85 -36.49 2.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.64 156.19 38.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.08 19.35 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 57.06 42.43 93.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.523 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -120.53 136.97 54.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.59 -168.57 28.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 30.5 t-80 -159.79 125.71 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 0.0 110.809 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.9 tt -42.47 -30.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -40.64 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.73 -38.16 3.46 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -55.76 -45.63 78.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 13.1 m-85 -87.91 146.24 25.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -106.82 35.14 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.6 p -172.76 158.82 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.8 p-80 -159.25 148.59 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -133.34 23.38 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 p -149.77 140.09 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.89 58.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.8 m -56.09 -39.83 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 8.96 63.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -79.6 111.94 25.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.69 -32.39 18.95 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.37 -34.4 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.63 86.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.45 95.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.9 -56.25 15.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' LYS . 47.9 tp60 -43.26 -48.55 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' GLN . 49.4 tttp 35.63 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.6 111.51 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 25.4 m-20 58.8 48.67 2.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.692 0.758 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.6 Cg_endo -69.86 3.19 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.7 tp -34.32 120.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -165.96 140.9 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.05 59.58 0.46 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.65 161.73 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 p -172.17 148.19 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.81 85.3 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -138.03 110.7 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -107.44 95.83 5.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.41 148.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -111.33 97.03 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -115.86 39.52 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -61.59 -52.65 63.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -111.05 -58.81 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -83.97 127.49 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.3 pp -148.74 135.3 10.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.81 63.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' CYS . 29.8 p-80 -116.84 155.91 28.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 5.7 t -36.02 133.95 0.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.673 0.749 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -37.4 9.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.72 132.41 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.99 -30.49 72.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.42 148.13 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -99.44 -47.61 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.41 30.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -127.77 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 169.17 13.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -143.23 146.06 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 90' ' ' PRO . 33.2 m -65.79 -32.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -72.57 -16.76 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 68.94 47.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.4 m -133.82 -41.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -100.65 164.12 12.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.17 1.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -129.25 159.26 36.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 20.0 p-80 -172.77 125.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 62' ' ' LEU . 2.2 mpp_? -118.51 40.99 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.6 t -171.66 150.14 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.8 -34.96 72.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -55.13 -17.33 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.45 19.47 4.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.67 112.4 55.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.74 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.72 -12.65 33.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.93 -20.31 20.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -93.0 -15.98 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.47 -33.85 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.8 -41.17 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 p -59.0 -34.56 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 26.5 mm -39.57 -42.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' ILE . 31.3 mttm -36.47 104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 175.22 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.0 -146.55 17.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -132.15 102.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.478 HG13 ' H ' ' A' ' 103' ' ' SER . 11.9 p -71.63 -27.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t 54.06 42.9 31.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.478 ' H ' HG13 ' A' ' 101' ' ' VAL . 1.5 t -168.16 163.64 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -98.66 106.35 3.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.369 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.6 p -78.64 77.47 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -44.75 -53.2 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.471 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -172.52 171.74 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -174.34 175.01 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.92 132.24 3.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -171.21 168.02 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -149.92 155.94 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -124.68 94.32 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.71 -176.89 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.9 tp10 -91.45 127.04 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 60.9 mt -153.51 162.72 40.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -158.64 138.08 11.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 t -43.95 105.32 0.43 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.73 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.2 t -80.42 104.31 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 16' ' ' GLY . 47.6 mm -53.82 154.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.55 -37.08 2.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.4 t -63.11 162.09 12.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -96.67 -19.24 19.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 93.46 -25.51 20.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.37 157.43 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.78 174.67 44.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -153.68 129.05 9.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD12 ' HB2' ' A' ' 40' ' ' ALA . 8.4 tt -52.73 -19.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.44 -36.41 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -38.3 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -51.28 -37.35 46.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 27' ' ' TYR . 3.6 m-85 -103.9 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.9 p -115.1 26.49 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -167.23 154.62 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 19' ' ' GLY . 56.5 p-80 -150.05 153.13 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 1.6 mtm-85 -134.61 19.32 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 p -145.59 159.83 42.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.63 82.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.1 m -58.69 -36.9 74.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.71 8.62 59.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.25 111.06 28.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.79 -26.59 27.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.6 tt -70.47 -35.65 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 14' ' ' VAL . . . -68.41 -44.6 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -59.58 -47.39 85.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -64.16 -63.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HD2' HD21 ' A' ' 38' ' ' LEU . 23.7 mtp180 -47.61 -33.07 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -74.41 -55.51 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 8.2 pttp -84.13 47.33 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -116.44 -40.97 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -127.83 69.2 76.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HG2' HD23 ' A' ' 48' ' ' LEU . 53.4 Cg_endo -69.79 -50.31 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.625 2.217 . . . . 0.0 112.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD23 ' HG2' ' A' ' 47' ' ' PRO . 2.3 pt? -134.07 25.82 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 54.7 38.39 29.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.06 52.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.91 -44.17 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.4 p -85.17 134.34 34.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.1 tp -115.49 -48.97 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -41.62 114.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.3 t90 -107.17 -61.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -68.13 144.09 55.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 tp -47.37 -46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.28 113.29 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -54.14 -59.75 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.72 176.94 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -107.58 130.82 54.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.72 151.17 39.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.04 55.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' HIS . 12.8 p-80 -90.88 -22.99 20.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -177.98 133.42 0.33 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -43.09 2.88 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -50.22 134.3 23.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.41 98.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.3 t -63.68 158.81 20.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.88 25.65 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.06 32.08 81.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.4 mt -121.9 130.42 53.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.91 163.75 20.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -144.32 139.19 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 90' ' ' PRO . 24.6 m -61.73 -15.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' O ' HG13 ' A' ' 79' ' ' VAL . 44.5 t-20 -88.53 -10.34 49.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m120 58.09 39.66 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' A' ' 80' ' ' PHE . 15.3 m -129.53 -35.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.6 m-85 -107.7 159.25 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 82' ' ' THR . 35.6 m -109.52 34.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.2 p -163.49 166.45 22.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' HIS . 50.0 p-80 -173.43 149.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 41.8 mtt85 -131.06 44.17 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -174.55 166.85 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD22 ' ND2' ' A' ' 92' ' ' ASN . 18.7 mt -67.19 -51.0 58.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -50.14 -38.94 41.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.72 -10.96 78.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 44.6 t -76.74 113.86 33.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.81 -33.33 16.61 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -72.65 -28.16 62.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.732 ' ND2' HD22 ' A' ' 86' ' ' LEU . 39.2 t30 -76.71 -50.59 13.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.37 -31.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -54.62 -47.53 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.9 -28.48 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 96' ' ' ILE . 11.4 mm -78.39 45.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.96 140.57 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -79.15 -58.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.64 -174.91 26.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -90.95 42.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.9 42.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 m -113.9 -51.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.6 m -43.37 -53.43 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.13 -148.81 19.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.42 35.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 m -128.17 126.78 41.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.7 m -85.71 111.98 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.541 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -148.32 173.85 12.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -84.18 176.05 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.74 -43.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p 43.71 42.59 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p 38.18 42.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 126.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -97.91 124.34 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.78 150.14 23.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' CYS . 2.4 ttmp? -170.44 167.22 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' LYS . 8.1 t -36.54 105.15 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.75 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.53 104.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -54.62 149.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.01 -37.3 3.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' LEU . 16.7 t -63.93 159.97 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 4.9 p30 -92.33 -25.15 18.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.55 32.21 14.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 4.7 pt20 -126.11 172.3 10.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.84 -158.19 53.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 24' ' ' SER . 32.3 t-80 -169.35 127.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.6 tt -44.45 -31.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 29.1 m -77.6 -41.02 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.86 -43.27 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -45.69 -54.35 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -82.75 157.29 23.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -115.01 33.45 5.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.9 p -174.6 153.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -149.06 152.75 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -134.52 24.79 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -151.93 154.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -64.11 -40.24 95.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -57.1 -36.91 71.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.23 10.28 59.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.7 t -79.17 111.46 20.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.81 -19.51 35.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 17' ' ' CYS . 10.0 tt -79.21 -31.76 43.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.45 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -60.74 -48.67 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -46.85 -58.97 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -64.22 -45.55 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' LYS . 37.2 mm-40 -47.03 -46.08 21.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -36.93 111.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -146.76 139.38 25.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -129.3 80.92 71.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.22 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tp 54.96 41.75 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -112.73 171.45 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . 113.64 118.11 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.43 -53.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -119.73 84.04 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD21 ' HA3' ' A' ' 50' ' ' GLY . 4.2 mm? -71.39 -48.4 50.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -78.95 -49.19 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.54 40.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 109.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 58' ' ' ASN . 83.3 mt -79.47 43.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' LEU . 12.5 p30 33.78 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -147.8 117.51 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -115.89 101.0 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -40.24 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.96 155.7 80.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 138.47 38.05 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.2 p-80 -169.17 132.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' HIS . 50.9 t -34.9 135.54 0.41 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -43.54 2.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.286 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.39 133.45 4.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.19 -35.04 70.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 91' ' ' LEU . 16.7 t -68.09 118.69 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -73.13 -41.5 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.45 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -121.86 101.73 7.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.03 177.15 14.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -156.18 133.11 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 77' ' ' ASN . 19.8 m -50.34 -45.03 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 79' ' ' VAL . 27.0 t-20 -55.64 -22.67 23.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m120 66.22 36.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 77' ' ' ASN . 29.8 m -127.66 -28.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -101.3 -178.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 82' ' ' THR . 34.5 m -116.8 -32.34 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 HG23 ' A' ' 81' ' ' VAL . 25.4 p -111.76 170.89 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 24.5 p-80 -174.27 121.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 2.2 mpp_? -112.91 43.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 p -171.2 150.42 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD22 ' ND2' ' A' ' 92' ' ' ASN . 17.1 mt -53.68 -42.02 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m -40.89 -48.86 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' HG22 ' A' ' 76' ' ' VAL . . . -105.44 40.04 2.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . 45.6 t -107.51 107.56 60.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.67 29.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' SG ' ' A' ' 70' ' ' CYS . 4.3 mt -77.69 -32.88 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.77 ' O ' HG12 ' A' ' 95' ' ' VAL . 19.1 t30 -76.13 -57.63 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -40.12 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' ASN . 30.0 mm-40 -64.72 -44.74 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 92' ' ' ASN . 8.7 p -64.18 -25.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 93' ' ' ALA . 77.6 mt -64.14 123.88 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -174.17 148.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 101.99 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.3 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -76.3 100.74 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.42 150.14 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 p -128.57 94.46 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.5 m -131.95 141.37 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -100.7 105.1 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 54.0 Cg_endo -69.75 87.7 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -157.18 127.14 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 p -109.9 145.13 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.442 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -174.14 159.88 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -175.05 172.88 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 143.39 3.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -162.09 147.08 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -171.19 171.72 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.98 -170.52 42.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 178.53 4.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -153.82 120.88 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.6 mt -152.07 121.51 6.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' CYS . 6.4 ptmm? -165.45 -176.87 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 36.4 t -33.68 109.73 0.34 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.34 33.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.92 108.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -50.26 152.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.82 -37.24 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.72 152.13 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.69 29.63 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 47.81 45.74 24.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -119.54 128.76 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.69 21.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -161.55 133.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 tt -55.55 -15.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -91.82 -37.46 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.19 -43.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -51.25 -51.58 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.64 147.08 27.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.7 p -108.22 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -171.86 159.75 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 53.5 p-80 -162.63 149.3 13.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -133.44 22.5 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.3 p -146.27 144.51 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.84 73.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -54.92 -41.03 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.56 10.66 62.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 31.1 t -80.5 111.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.79 -30.2 22.52 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.6 tt -69.36 -27.03 64.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -32.68 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.75 -51.18 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -49.5 -43.17 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLN . 13.9 ttt180 -41.91 -40.86 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ARG . 26.9 pt20 -36.04 -39.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -94.85 87.59 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.37 -51.99 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 38.8 m-20 -114.07 105.73 53.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -154.9 119.96 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -135.83 143.29 45.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.54 137.2 9.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.34 -59.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -129.91 86.39 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.84 88.99 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 p -127.28 98.58 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.96 85.65 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -99.95 -49.14 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 57' ' ' LEU . 4.1 pp -102.99 40.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -97.75 40.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' GLN . 15.5 mttp -120.04 -43.35 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -35.25 145.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -107.07 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -86.27 153.83 56.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 64' ' ' HIS . 54.1 Cg_endo -69.75 -164.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.384 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' PRO . 9.9 p80 -35.47 133.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.2 t -34.75 133.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.2 Cg_endo -69.8 -45.27 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.8 mp -36.36 133.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.39 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.8 -32.31 66.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.543 ' SG ' HD12 ' A' ' 91' ' ' LEU . 7.0 t -67.57 144.79 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -106.21 -41.23 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.51 30.38 0.91 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -120.71 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.66 -177.42 24.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -166.68 131.28 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 77' ' ' ASN . 29.7 m -52.26 -45.08 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.498 ' N ' HG23 ' A' ' 76' ' ' VAL . 95.6 m-20 -50.01 -24.09 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 67.77 43.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 80' ' ' PHE . 27.2 m -132.21 -38.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -107.72 176.94 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.34 29.19 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.1 p -148.34 154.62 40.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -172.89 125.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -112.95 40.3 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -171.79 156.57 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.44 -38.22 80.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -46.76 -45.91 20.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.99 31.34 8.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.519 ' SG ' HD22 ' A' ' 67' ' ' LEU . 46.6 t -100.79 108.61 54.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.2 Cg_endo -69.71 -26.95 27.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.5 mt -74.1 -31.0 62.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -79.43 -57.22 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.11 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.27 -35.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 97' ' ' LYS . 96.0 t -86.41 -42.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' VAL . 32.1 mm -36.94 -28.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 95' ' ' VAL . 19.0 pttm -37.53 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -4.78 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.65 96.03 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -80.59 -61.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.05 149.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -141.01 105.93 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t -55.72 124.74 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.9 177.3 23.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.1 p -70.17 164.04 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -72.97 119.34 17.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.499 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.15 177.22 10.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -154.38 177.68 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.32 -159.38 10.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.48 155.99 38.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -124.1 178.26 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.37 134.01 4.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -174.06 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -133.64 142.02 47.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -141.07 165.77 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -120.82 160.22 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 27.4 t -39.17 105.12 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -13.56 34.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.18 115.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.9 151.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 -36.92 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.3 t -71.87 145.06 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -102.11 30.57 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 43.29 27.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.57 153.61 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.63 178.1 42.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -143.86 136.32 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.587 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.1 tt -51.43 -37.65 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 m -69.95 -43.47 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.79 -36.11 4.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -55.11 -49.95 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -89.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -105.29 33.38 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -167.38 158.07 11.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.6 p-80 -160.14 151.48 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -134.63 20.65 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -144.63 150.37 37.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.27 94.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -54.35 -40.98 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.11 7.06 64.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.7 t -73.67 111.91 14.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.73 -32.35 18.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 17' ' ' CYS . 5.3 tt -68.99 -31.69 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.98 -35.81 74.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -64.61 -47.41 78.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -64.49 -44.17 91.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -59.97 -36.1 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -86.49 42.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -110.98 91.6 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 46' ' ' ASN . 22.7 tp10 -111.52 158.85 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 8.0 m120 -97.18 103.52 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.74 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.739 2.292 . . . . 0.0 112.338 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 47' ' ' PRO . 2.2 mp -153.95 161.25 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -93.46 162.3 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.09 138.33 7.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.39 137.27 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mp -40.9 146.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' TRP . 1.1 t -121.53 149.77 42.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' SER . 12.9 t90 -35.46 -43.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -80.28 97.12 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.99 136.59 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -104.83 84.2 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -138.69 132.46 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.79 162.76 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -95.77 129.77 42.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -107.47 148.84 37.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 145.41 56.61 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -69.77 177.21 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.35 128.59 2.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.06 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -45.42 130.65 6.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.0 -39.02 96.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 91' ' ' LEU . 7.6 t -64.25 123.78 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -84.87 34.91 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.23 37.13 10.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.74 131.26 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.85 -172.6 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 17.6 t-80 -173.75 135.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 90' ' ' PRO . 11.1 m -58.67 -27.5 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 96.7 m-20 -65.98 -27.04 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 t30 68.07 33.28 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' CD2' ' A' ' 80' ' ' PHE . 26.9 m -126.44 -29.77 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CD2' HG23 ' A' ' 79' ' ' VAL . 56.4 m-85 -111.17 176.07 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.93 33.49 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -154.76 158.26 39.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -173.58 132.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -123.53 42.26 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -163.68 161.85 23.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.22 -59.19 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 m -42.57 -42.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 -36.01 40.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.8 t -50.07 113.18 3.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.467 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.79 -30.74 21.67 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mp -75.6 -25.37 56.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.49 ' O ' HD12 ' A' ' 96' ' ' ILE . 13.8 t30 -82.43 -41.01 20.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -42.37 -59.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -40.95 -41.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 39.4 t -55.78 -67.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 96' ' ' ILE . 4.9 mp -35.15 -44.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.4 tttm -37.23 138.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -134.07 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.03 -108.12 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -108.06 123.17 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.52 -22.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -54.39 -44.78 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.3 p -112.5 121.28 44.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -164.92 114.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.43 5.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -113.83 130.5 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m -69.63 120.38 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -110.09 155.95 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.38 157.18 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 134.87 4.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -133.52 175.04 9.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.833 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -164.4 142.1 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.84 90.34 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 107.83 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -168.58 133.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.61 124.75 34.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 ttmt -138.62 158.45 44.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 41.7 t -35.48 104.4 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.78 -16.14 37.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.35 100.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.2 mp -44.54 152.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.71 -38.1 2.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.21 148.3 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.6 29.58 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 48.44 43.78 27.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -116.42 131.06 57.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.79 -166.78 25.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -160.4 136.32 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.308 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 40' ' ' ALA . 19.2 tt -57.78 -15.25 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -93.47 -35.34 13.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -42.19 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -50.33 -52.27 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.31 144.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.2 p -104.56 36.97 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 p -173.46 161.5 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 52.8 p-80 -163.21 148.67 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -132.98 25.36 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -148.82 143.82 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.88 72.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -57.18 -40.18 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.65 11.53 61.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 18.5 t -82.25 112.58 37.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.7 0.762 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.8 -29.59 23.45 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 38' ' ' LEU . 7.5 tt -69.97 -25.2 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.3 -37.27 53.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -65.77 -46.26 79.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -46.02 -45.92 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -97.05 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -58.25 -57.8 11.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -114.62 -61.57 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.27 117.74 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.684 0.754 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.15 5.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 tp -129.64 103.65 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.61 126.76 31.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.39 -157.06 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.19 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -152.21 114.21 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.95 41.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -84.18 89.79 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -127.06 41.88 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -120.77 -25.44 5.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -86.74 -43.82 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 60' ' ' GLN . 1.8 p-10 -93.93 -37.79 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASN . 5.9 pttp 34.37 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.565 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 7.8 tp60 -117.05 130.73 56.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 tt0 -86.79 37.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' NE2' ' A' ' 60' ' ' GLN . 8.1 mt -148.8 130.76 7.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 160.15 50.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -128.48 176.52 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.24 135.41 93.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.657 0.741 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.777 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.1 Cg_endo -69.72 -47.93 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 86' ' ' LEU . 6.2 mp -34.61 130.68 0.45 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -26.23 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.56 -7.08 62.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 91' ' ' LEU . 4.5 t -102.65 132.1 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.22 -31.8 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.89 23.31 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -119.43 123.64 44.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 121.58 161.7 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -141.89 143.92 33.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 90' ' ' PRO . 8.9 m -63.55 -27.87 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.639 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.3 t-20 -79.76 4.19 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 77' ' ' ASN . 12.4 p30 46.06 45.5 12.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.639 HG22 ' HB3' ' A' ' 77' ' ' ASN . 9.4 m -131.95 -51.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 79' ' ' VAL . 76.2 m-85 -88.12 168.73 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 82' ' ' THR . 29.3 m -120.01 27.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 81' ' ' VAL . 9.7 p -160.42 157.46 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 51.3 p-80 -169.29 124.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' CD ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -108.26 32.94 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -162.7 136.04 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 66' ' ' PRO . 72.2 mt -42.81 -45.74 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.5 p -41.06 -48.79 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -94.39 36.1 3.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 49.0 t -106.73 111.53 63.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.427 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.0 Cg_endo -69.81 -30.88 21.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.733 ' O ' HG23 ' A' ' 95' ' ' VAL . 3.5 mp -72.82 -36.15 67.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.536 ' ND2' HD22 ' A' ' 86' ' ' LEU . 30.5 t30 -74.29 -46.93 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.7 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.94 -24.63 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 91' ' ' LEU . 99.2 t -81.46 -37.14 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -44.49 -62.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 49.98 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -165.27 167.94 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 -158.27 20.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -133.41 147.29 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' VAL . 8.3 p -118.07 127.51 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -42.98 125.89 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.0 m -92.36 -45.85 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.94 150.49 21.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.87 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -119.47 119.45 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -109.57 174.8 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.492 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -147.01 146.75 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -153.03 169.25 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.71 155.95 26.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -150.4 156.54 41.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -173.48 152.83 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.02 139.23 8.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 163.32 38.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.46 140.66 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.18 157.8 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.3 ptmt -174.07 167.92 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 t -33.92 105.36 0.26 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.72 -12.65 33.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.59 105.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.7 151.19 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.54 -32.28 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.644 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.4 t -70.63 160.7 32.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.66 -22.83 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 92.98 -23.44 29.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -78.05 140.54 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.35 -166.45 12.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -169.5 129.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 40' ' ' ALA . 12.8 tt -46.79 -23.98 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.1 -38.96 21.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.87 -41.17 2.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -53.75 -57.11 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -77.5 145.72 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 28' ' ' THR . 5.6 t -105.81 32.41 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -168.23 153.77 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 54.2 p-80 -155.56 137.87 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -124.81 23.88 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 p -147.58 132.7 18.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.38 -40.9 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -57.88 -36.15 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.51 9.42 64.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 43.3 t -82.85 115.39 58.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.73 -31.8 19.94 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 17' ' ' CYS . 8.7 tt -67.15 -37.4 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.628 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -54.41 -43.12 71.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.4 -58.83 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' GLN . 9.9 mtp-105 -45.26 -43.3 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ARG . 38.2 tp60 -34.18 -45.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLU . 6.2 ttpm? -46.0 -57.72 4.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' LYS . 19.8 tt0 34.89 52.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 8.4 p-10 -97.05 107.68 39.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.5 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' ASN . 2.7 tt -35.88 -61.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' LEU . 4.9 t30 -35.75 114.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.94 82.34 1.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.4 113.35 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -147.86 165.06 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.74 -46.28 40.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -131.1 127.86 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -41.11 -48.39 3.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.59 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' C ' HD23 ' A' ' 57' ' ' LEU . 9.9 tt -67.08 -51.4 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -69.27 144.98 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -95.66 -45.4 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -130.75 -34.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -56.59 111.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -50.86 143.81 14.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.02 2.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.36 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -174.85 164.21 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.62 128.16 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -40.33 5.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -49.87 132.05 21.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.43 -40.12 98.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.1 t -64.58 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -109.55 34.61 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.11 35.2 41.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.77 139.61 53.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.69 -173.3 23.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.434 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 38.4 t-80 -166.37 148.0 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG23 ' N ' ' A' ' 77' ' ' ASN . 24.2 m -61.3 -53.03 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 79' ' ' VAL . 11.9 p30 -49.84 -21.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 62.21 43.51 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.648 HG22 ' CG ' ' A' ' 77' ' ' ASN . 30.0 m -128.67 -28.1 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.551 ' CD2' HG23 ' A' ' 79' ' ' VAL . 67.1 m-85 -110.64 -175.91 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.2 m -129.69 32.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 20.3 p -158.94 161.44 36.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -174.34 130.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -120.99 44.5 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -170.3 161.54 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' CYS . 11.8 mt -65.94 -59.92 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.4 t -42.03 -32.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -87.59 -30.36 18.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' LEU . 40.3 t -53.6 118.04 13.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.69 -35.18 13.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.8 mp -70.6 -41.34 72.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -61.96 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -56.07 -42.56 76.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -62.3 -46.75 87.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 91' ' ' LEU . 97.4 t -56.69 -45.42 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 93' ' ' ALA . 41.6 mt -51.39 125.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 97' ' ' LYS . 0.8 OUTLIER -167.49 129.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.0 tttp 43.38 40.69 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.56 -141.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.25 120.76 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.84 171.52 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -72.39 162.87 28.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -111.72 172.9 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -112.62 140.62 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.05 22.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' SER . 85.9 p -75.79 115.23 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' SER . 11.4 t -34.12 -58.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -149.24 107.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -154.93 173.16 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 167.96 6.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -110.23 42.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m 38.77 50.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.597 ' C ' HD23 ' A' ' 10' ' ' LEU . . . 57.85 87.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' N ' HD23 ' A' ' 10' ' ' LEU . 54.4 Cg_endo -69.69 110.76 2.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 58.85 43.2 18.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' C ' ' A' ' 7' ' ' GLY . 4.3 mm? -97.11 125.43 41.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -151.92 177.84 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.445 ' SG ' ' HB ' ' A' ' 14' ' ' VAL . 8.5 t -46.65 107.9 0.77 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -15.99 37.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.0 t -65.45 115.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.27 146.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 -35.17 3.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.99 146.3 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.34 30.63 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 41.91 41.34 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -114.8 142.98 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.4 -173.86 53.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -149.26 130.16 14.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 40' ' ' ALA . 17.5 tt -44.51 -32.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -77.57 -41.26 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.68 3.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -52.24 -46.6 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -91.9 150.8 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.6 p -108.37 35.67 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.6 p -171.06 158.15 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.3 p-80 -160.41 140.87 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -125.56 26.11 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 p -152.08 143.39 23.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.4 -43.05 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -50.78 -39.38 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.35 7.26 59.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 t -73.78 112.05 14.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.636 0.731 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.71 -30.1 23.05 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.26 -35.78 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.72 92.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -59.92 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -44.7 -44.27 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -59.28 -40.85 87.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -115.35 68.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -42.42 131.85 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -140.22 161.79 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.77 80.93 55.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 52.02 43.55 30.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -47.07 -44.92 21.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.72 82.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.78 109.75 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -69.71 132.43 46.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -97.23 -44.68 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 m -90.69 91.8 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -119.91 -55.7 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.37 -43.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mt -107.52 174.26 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -112.22 -47.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -56.64 149.39 17.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 tp-100 -140.65 121.76 14.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' LEU . 51.9 tt0 -136.48 157.07 47.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -80.61 160.08 67.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.57 0.7 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 53.6 Cg_endo -69.76 149.34 66.78 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 1.8 m-70 -174.22 129.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' HIS . 42.7 t -36.03 134.35 0.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.87 3.9 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -44.76 130.83 5.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.12 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.02 -37.76 93.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 91' ' ' LEU . 39.0 t -61.94 157.29 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -107.93 -43.36 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.81 34.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -129.87 106.17 8.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.29 178.95 15.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 25.5 t-80 -155.76 145.75 21.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.347 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 90' ' ' PRO . 20.0 m -61.03 -34.63 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.645 ' O ' HG13 ' A' ' 79' ' ' VAL . 87.0 m-20 -71.08 0.53 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 m120 46.65 34.97 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 77' ' ' ASN . 20.0 m -121.97 -29.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 79' ' ' VAL . 49.8 m-85 -119.54 136.97 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -87.0 23.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 p -144.81 164.33 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.0 142.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -132.35 43.78 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.8 t -173.29 153.73 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -56.71 -53.73 54.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -45.61 -41.48 10.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.25 -26.52 36.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.8 t -54.24 111.2 2.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.73 -10.13 27.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.849 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.5 mt -95.48 -29.34 14.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -73.51 -36.37 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.52 -61.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -36.76 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 91' ' ' LEU . 74.6 t -62.19 -35.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 97' ' ' LYS . 94.5 mt -37.51 -27.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' VAL . 7.2 pttp -35.7 104.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -83.61 90.64 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 54.33 -100.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -153.75 137.15 15.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.88 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m -83.28 110.63 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 t -154.39 158.64 40.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 154.12 18.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.97 24.49 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.6 m -120.68 176.19 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -111.09 174.9 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.481 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -154.62 172.87 17.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -114.01 -60.21 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.61 172.68 14.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -159.82 176.44 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -132.97 178.57 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 145.53 14.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -172.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -132.15 98.62 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' C ' ' HB3' ' A' ' 31' ' ' ARG . 4.3 mm? -89.36 161.74 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -155.61 138.17 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.9 t -37.74 107.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 33' ' ' ALA . 53.6 Cg_endo -69.8 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -79.4 97.7 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 16' ' ' GLY . 27.8 mm -49.72 155.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.14 -36.63 2.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 t -61.92 164.91 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -99.26 -18.54 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.495 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 87.48 -20.47 26.83 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -78.0 145.83 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.06 -174.86 30.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 41.6 t-80 -156.28 129.46 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -43.67 -42.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 23' ' ' ILE . 58.6 m -69.67 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.12 -41.16 2.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -47.69 -43.97 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 10.9 m-85 -92.28 153.48 19.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.432 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.2 p -110.76 32.26 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -171.79 153.27 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -152.83 148.38 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HB3' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.33 11.77 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -142.12 146.64 35.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' ' 13' ' ' PRO . . . -54.32 -38.65 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -53.18 -37.45 61.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.37 8.52 52.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 49.9 t -76.69 112.39 21.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -26.89 26.91 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.4 tt -70.12 -39.32 75.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.26 97.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -76.38 -47.28 23.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -47.66 -43.3 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -60.71 -38.52 85.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -75.42 -61.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -59.59 122.72 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.6 mm-40 -132.54 167.37 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . 18.0 t-20 -36.4 110.61 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -174.64 -178.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -158.21 126.82 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.55 -157.65 14.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 80.36 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.9 p -160.27 121.68 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 40.58 43.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -78.36 148.07 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -148.32 156.5 42.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -45.09 110.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -170.12 156.01 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 m120 71.24 38.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -54.11 -41.31 68.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 34.5 tt0 -39.03 149.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 4.7 pt-20 -72.14 148.95 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.765 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.0 mp -38.79 152.33 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.46 12.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 34.7 m-70 -106.16 -24.04 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 48.4 t -179.89 121.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.74 -36.05 11.57 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -34.91 126.95 0.53 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.946 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.72 12.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.0 13.69 10.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 91' ' ' LEU . 6.6 t -126.84 161.55 27.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -117.43 -49.0 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.603 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 142.07 30.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -131.28 112.43 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 156.21 8.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -137.2 146.62 45.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.7 m -69.32 -20.55 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -82.2 -20.62 37.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 73.59 33.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 80' ' ' PHE . 5.3 m -129.46 -31.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.643 ' CD2' HG23 ' A' ' 79' ' ' VAL . 43.5 m-85 -107.18 152.64 23.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -108.82 25.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 81' ' ' VAL . 40.8 p -159.16 154.22 25.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 64' ' ' HIS . 55.8 p-80 -161.93 150.44 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 21.6 ptt85 -134.44 42.57 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' LEU . 1.8 m -174.08 125.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 85' ' ' SER . 18.2 mt -34.89 -37.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.4 p -52.11 -51.86 55.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.69 24.51 10.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.81 114.48 64.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.79 -39.13 6.8 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 70' ' ' CYS . 3.3 mp -62.65 -43.14 99.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -66.64 -61.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -42.61 -44.6 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -59.55 -45.47 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 91' ' ' LEU . 88.7 t -56.97 -55.8 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 93' ' ' ALA . 20.6 mt -42.73 -43.32 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -38.48 110.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.58 -59.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.9 90.96 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -157.03 130.42 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.96 139.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -155.48 139.76 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t 41.57 33.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.18 -74.11 1.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -2.3 9.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.2 t -49.6 136.83 16.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.9 p -78.56 138.49 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -86.01 -57.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -171.89 174.2 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.11 -90.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p 39.32 41.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -107.25 172.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.13 138.85 6.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.3 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -111.98 130.54 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -85.08 128.73 34.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 20.6 pttt -162.53 160.7 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 40.2 t -34.88 101.91 0.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.75 -8.84 24.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -72.61 121.35 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.7 mm -63.41 151.56 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.92 -37.15 2.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.3 151.82 41.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.09 20.95 15.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.4 69.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -122.55 133.08 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.19 -160.68 22.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -166.72 134.04 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 40' ' ' ALA . 16.2 tt -55.34 -16.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -91.69 -36.22 13.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.12 -41.0 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -53.13 -50.97 63.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.88 148.69 25.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -109.34 36.84 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -173.6 160.97 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.3 p-80 -163.85 149.26 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.556 ' CZ ' ' CG2' ' A' ' 32' ' ' THR . 0.6 OUTLIER -134.12 21.9 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 31' ' ' ARG . 60.4 p -144.68 137.54 26.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.82 -43.1 48.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 t -54.26 -34.7 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.21 9.17 56.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.0 t -81.03 111.55 24.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.79 -31.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 38' ' ' LEU . 8.0 tt -67.27 -31.64 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -38.38 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -58.11 -42.36 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 41' ' ' LYS . 4.6 tmmm? -75.43 -49.02 20.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -55.11 -48.69 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -78.5 -57.12 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt 58.56 39.44 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.08 171.59 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 m-80 -106.21 99.89 26.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 54.2 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tp 59.91 41.32 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -43.36 137.77 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.23 -80.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 42.36 40.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -85.21 128.81 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 53' ' ' LEU . 4.0 pp -87.02 43.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 t -110.87 125.47 53.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -159.02 130.07 6.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -175.7 179.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -118.64 94.51 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' LYS . 4.1 m120 -117.58 -42.42 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER 32.45 47.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -120.1 115.98 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -39.62 113.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -58.88 155.48 31.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 125.35 12.08 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.643 2.228 . . . . 0.0 112.377 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 64' ' ' HIS . 1.7 p80 -83.28 41.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -177.76 135.06 0.36 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.56 2.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.33 128.53 9.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -40.2 5.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.74 -34.18 39.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.3 t -65.44 145.98 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -91.27 -40.16 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 113.27 25.84 4.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.32 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.1 -177.47 20.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -155.45 145.37 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' PRO . 10.4 m -62.53 -33.9 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.771 ' O ' HG13 ' A' ' 79' ' ' VAL . 48.8 t30 -74.18 2.53 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p30 45.33 46.53 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 77' ' ' ASN . 33.7 m -132.32 -30.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CD2' HG23 ' A' ' 79' ' ' VAL . 50.1 m-85 -113.43 163.59 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.97 25.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 p -151.71 162.67 40.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 55.0 p-80 -173.98 148.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 1.9 mpt_? -134.41 33.93 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -169.22 147.99 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.37 -42.6 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -52.64 -34.57 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.88 7.31 48.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.6 t -86.31 113.51 52.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.495 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.75 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.38 -40.13 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' VAL . 62.6 t30 -62.78 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -37.73 -33.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -46.13 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' ILE . 97.9 t -66.65 -42.63 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' VAL . 42.9 mm -33.64 -54.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.6 tppt? 37.22 54.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 132.29 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 119.52 -171.82 14.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.77 148.84 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.73 -2.11 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.7 m -111.17 84.23 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.8 p -129.67 84.31 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.3 -73.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 139.14 39.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -119.45 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -125.38 -56.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -168.55 163.25 12.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -123.43 175.88 6.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 177.38 20.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -138.37 151.94 47.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -111.05 -59.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 137.7 2.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -174.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.9 139.92 41.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.58 145.02 40.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' CYS . 8.6 mptt -135.98 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 37.5 t -36.51 99.14 0.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.5 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.67 117.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 32.5 mm -60.49 152.8 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 80.58 -37.46 2.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.36 146.72 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.64 29.56 7.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.57 50.15 37.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.41 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 31.5 mt-30 -117.46 135.81 53.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.27 -169.24 45.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 43.2 t-80 -149.37 128.32 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.72 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 1.9 tp -38.85 -37.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -72.39 -42.04 65.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 113.44 -37.15 3.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -55.16 -56.32 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 23.3 m-85 -77.1 145.5 37.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.3 p -103.56 37.49 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -174.7 160.33 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.6 p-80 -160.89 149.14 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -134.62 24.43 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 p -149.67 136.39 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.27 -43.02 32.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -54.03 -39.23 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.29 13.11 61.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.1 t -81.38 110.89 20.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.79 -29.28 23.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.23 -33.22 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.57 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -64.68 -50.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -44.64 -33.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -89.66 -36.41 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -55.64 -45.45 77.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -56.52 127.96 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 46' ' ' ASN . 11.5 tt0 -104.04 151.3 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 8.3 p30 36.24 53.41 2.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.8 Cg_endo -69.74 -5.6 16.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' PRO . 6.0 tp -33.83 117.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -118.18 -46.64 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.22 4.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 88.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.1 p -121.95 172.26 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mp -47.65 119.37 2.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.2 m -74.08 -49.13 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -162.82 145.78 10.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.66 143.67 26.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' LEU . 2.1 pp -120.6 37.67 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.07 -46.08 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -103.21 176.87 5.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 18.2 pt20 -96.32 -49.17 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 44.9 mt-10 -104.94 75.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.822 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.53 153.42 87.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.77 3.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.634 ' HB2' HD21 ' A' ' 62' ' ' LEU . 13.2 t-160 -162.55 118.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.1 t -40.79 126.93 1.93 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' LEU . 54.1 Cg_endo -69.8 -40.13 5.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -34.03 127.82 0.45 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.906 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 24.21 21.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.47 163.29 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.55 27.8 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.62 32.65 46.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -127.18 133.53 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.83 177.37 26.87 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.654 ' CE1' ' OD1' ' A' ' 77' ' ' ASN . 25.1 t-80 -151.66 159.89 43.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' PRO . 15.5 m -75.13 -41.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.902 ' ND2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -65.49 -8.41 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.6 ' N ' HD22 ' A' ' 77' ' ' ASN . 28.0 t30 55.7 49.57 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.902 HG22 ' ND2' ' A' ' 77' ' ' ASN . 33.8 m -133.7 -29.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.68 ' CD2' HG23 ' A' ' 79' ' ' VAL . 73.9 m-85 -113.27 -175.79 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 82' ' ' THR . 30.1 m -133.17 29.16 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.0 p -155.75 159.78 39.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -175.13 124.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -108.45 44.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -174.36 142.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' ND2' ' A' ' 92' ' ' ASN . 79.8 mt -51.02 -41.82 60.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.0 m -45.28 -48.21 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.07 30.59 7.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 36.9 t -99.08 110.56 58.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.3 Cg_endo -69.75 -19.79 35.71 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.628 ' ND2' HD22 ' A' ' 86' ' ' LEU . 19.1 t30 -73.16 -47.02 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.72 -54.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -52.15 -43.75 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' ILE . 99.4 t -62.58 -42.22 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' VAL . 49.0 mm -34.73 -42.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.2 116.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -64.73 153.41 39.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.51 -69.73 0.45 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -58.13 129.7 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.1 131.6 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.2 m -128.3 87.54 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -134.71 42.02 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 70.78 -151.41 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.01 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.0 m -111.75 135.74 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.7 p -156.39 133.28 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -159.85 161.77 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -173.29 177.85 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.83 -105.23 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m 55.25 48.6 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.806 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -55.27 165.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.17 135.17 4.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 165.15 31.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' LEU . 2.6 tp10 -172.37 161.94 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.0 mm? -33.87 130.76 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' CYS . 60.1 mttt -157.23 -178.39 7.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' LYS . 13.3 t -34.35 108.06 0.32 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -17.19 37.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.41 101.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.0 mm -53.71 142.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.5 -32.24 5.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.6 ' HA ' HD13 ' A' ' 38' ' ' LEU . 13.8 t -68.06 159.83 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -92.45 -24.1 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 95.88 -23.35 34.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.17 162.61 27.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.53 176.2 51.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.5 t-80 -153.4 126.92 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 tt -43.54 -29.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -80.71 -36.93 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 101.81 -41.07 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.93 -43.02 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.14 156.46 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.5 p -109.46 25.43 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -167.91 158.25 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.7 p-80 -153.81 149.77 27.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -135.01 30.85 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -154.21 146.28 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.57 81.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 t -56.29 -37.52 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.18 10.69 61.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 53.3 t -80.4 111.27 21.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.72 -22.01 32.87 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.1 tt -75.63 -39.83 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.94 89.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.46 -50.16 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -41.72 -36.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -49.25 72.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' LYS . 8.3 pt20 -71.5 -30.35 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 22.0 ttpt -138.46 119.16 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -103.14 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 46' ' ' ASN . 2.1 p30 -127.41 89.0 52.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.75 -1.4 8.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -34.89 144.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.92 172.71 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.53 145.73 17.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.84 133.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 m -144.01 136.46 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tt -147.85 115.28 6.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -84.51 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -161.89 170.5 19.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -45.69 139.98 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -157.88 139.76 14.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -100.6 44.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' HD12 ' A' ' 62' ' ' LEU . 19.7 mmtm 63.48 42.13 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -112.72 139.16 48.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 45.64 39.69 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -74.52 155.96 87.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.296 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -62.05 179.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.4 t -38.21 120.47 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HG2' HD21 ' A' ' 86' ' ' LEU . 54.0 Cg_endo -69.74 -36.53 10.69 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -37.2 128.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.921 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.85 -27.41 62.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.476 ' SG ' HD13 ' A' ' 91' ' ' LEU . 3.3 t -83.03 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -122.05 -30.61 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.49 31.8 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 mt -131.71 127.02 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 113.59 164.63 15.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -139.08 149.95 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 88' ' ' GLY . 13.6 m -67.22 -33.95 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.865 ' O ' HG13 ' A' ' 79' ' ' VAL . 55.3 t30 -82.05 17.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' ASN . 31.1 t30 35.78 50.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 77' ' ' ASN . 21.7 m -131.76 -43.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 79' ' ' VAL . 72.0 m-85 -99.36 167.35 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -114.16 13.36 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -143.82 163.67 32.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 74' ' ' GLY . 43.5 p-80 -174.11 122.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 42.17 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 83.8 p -170.09 121.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 66' ' ' PRO . 17.7 mt -35.72 -38.27 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.6 m -49.0 -48.72 43.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -94.45 27.16 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 49.1 t -93.54 114.16 62.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 54.3 Cg_endo -69.69 -22.58 32.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD13 ' SG ' ' A' ' 70' ' ' CYS . 2.3 mp -86.64 -24.45 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -92.0 -9.99 40.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.86 -24.01 17.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.81 -34.66 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.5 p -65.97 -30.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' LYS . 42.0 mm -44.69 -39.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ILE . 4.3 mmmm -37.78 97.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -156.85 169.52 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LYS . . . 35.72 -116.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -105.95 149.89 26.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.6 130.42 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -97.76 97.9 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.8 p -49.11 149.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.52 143.7 21.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.19 11.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -114.28 112.98 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.4 p -94.92 41.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.522 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -170.0 169.89 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -132.83 176.3 8.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.75 -168.12 39.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -155.8 175.9 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -152.01 163.07 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.69 103.51 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.47 30.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.372 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -125.21 151.49 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.52 139.15 49.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 159.82 43.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 10.6 t -42.76 108.08 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.736 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.7 -17.65 37.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 21.5 t -65.65 116.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 16' ' ' GLY . 46.2 mm -61.13 152.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.43 -34.81 2.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' HD13 ' A' ' 38' ' ' LEU . 5.9 t -73.35 151.02 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.02 31.76 4.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 30' ' ' HIS . . . 38.87 39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -116.32 157.65 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.22 -177.86 31.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -147.93 130.29 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 40' ' ' ALA . 15.2 tt -48.2 -24.38 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -84.33 -38.19 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 -44.09 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -43.78 -54.24 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -87.71 154.08 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 t -109.75 31.21 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -169.11 162.22 10.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 49.7 p-80 -160.11 152.52 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -134.89 25.61 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.9 p -149.11 155.41 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.5 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -54.45 -38.03 65.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.01 6.29 61.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -75.02 111.74 14.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.75 -31.18 21.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 17' ' ' CYS . 6.7 tt -70.12 -30.61 67.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.04 -36.41 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -67.33 -39.26 85.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -77.71 -48.06 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -43.48 -38.09 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -84.09 45.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -78.95 -35.31 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.23 155.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -97.98 102.69 14.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -153.63 141.84 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 148.6 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.81 157.46 24.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.79 147.45 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 p -122.88 92.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 54' ' ' SER . 1.1 pt? -38.73 -35.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 46.2 m -165.29 157.4 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -163.98 123.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -152.9 123.85 7.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 58' ' ' ASN . 10.0 tt -150.86 152.94 34.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.723 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.9 t30 -82.15 97.13 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' CD ' ' HB3' ' A' ' 62' ' ' LEU . 2.3 ttmm -107.22 151.89 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -144.59 140.92 29.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 46.55 45.61 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.817 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -39.04 153.2 0.17 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.77 28.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -105.18 171.41 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.4 t -43.64 122.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.3 Cg_endo -69.75 -34.46 14.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -36.48 124.47 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.49 31.92 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.11 29.15 11.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.5 t -130.43 163.41 27.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -126.31 23.94 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.03 28.37 58.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -125.15 122.21 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 119.26 170.64 14.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -146.28 148.07 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.74 -21.68 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.553 ' HB3' HG22 ' A' ' 79' ' ' VAL . 33.3 t30 -85.94 -8.18 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 60.4 29.08 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 80' ' ' PHE . 33.8 m -110.78 -47.98 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 79' ' ' VAL . 58.4 m-85 -102.88 160.97 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.2 m -110.57 29.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -151.52 155.91 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 88' ' ' GLY . 39.8 p-80 -174.98 120.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -109.63 48.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.6 p -174.96 128.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 66' ' ' PRO . 76.1 mt -38.05 -43.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -42.74 -54.21 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 83' ' ' HIS . . . -91.39 39.91 3.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.22 109.86 63.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.55 28.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mt -77.38 -33.25 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -78.66 -47.52 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -50.27 -46.81 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.29 -41.82 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.08 -47.35 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 93' ' ' ALA . 90.2 mt -44.48 -43.26 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.2 tttm -36.82 118.59 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -93.04 -29.23 15.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.37 -177.78 44.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -59.56 146.97 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.96 149.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -104.86 169.58 8.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t 41.12 42.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.77 -65.63 2.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.15 10.81 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -112.39 98.2 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.8 t -148.88 126.45 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -148.59 149.04 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -99.26 -57.46 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 -173.42 15.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -167.07 113.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -58.22 -61.72 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.69 95.64 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.6 14.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -142.72 143.81 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.9 mt -150.3 148.91 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.71 150.65 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 9.1 t -42.54 105.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.3 Cg_endo -69.77 -10.74 29.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.338 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 t -74.64 107.26 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 16' ' ' GLY . 36.4 mm -56.9 153.41 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.27 -32.58 2.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.5 t -68.96 159.67 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.78 -22.16 17.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' ' CE1' ' A' ' 30' ' ' HIS . . . 95.73 -21.65 43.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.17 165.8 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.347 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.33 178.55 51.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -155.4 131.11 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB2' ' A' ' 40' ' ' ALA . 14.9 tt -48.18 -23.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -87.81 -34.48 18.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.67 -43.54 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -44.75 -56.03 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -83.82 141.25 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' THR . 6.0 t -96.39 26.95 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -169.09 157.36 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 56.1 p-80 -151.43 146.83 26.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -132.73 25.28 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.3 p -148.46 140.64 24.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.86 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -56.7 -37.61 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.76 10.45 66.4 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 40.5 t -81.71 112.0 30.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.77 -25.52 28.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.9 tt -75.77 -29.7 58.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.0 -31.22 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.822 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -64.32 -26.79 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.18 -42.94 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.69 -49.3 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 14.2 pt20 -47.95 -43.5 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 15.5 ptmt -81.64 80.27 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.1 109.86 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -127.83 79.37 73.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.7 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.361 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PRO . 5.9 mp -33.5 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 33.6 m-20 -173.95 171.87 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.25 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.28 -61.37 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.1 t -91.33 -49.38 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.16 169.54 17.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -77.88 -60.03 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.414 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 67.3 t90 -141.74 105.74 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -92.2 150.66 20.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.4 tp -108.13 -53.18 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -115.54 95.89 5.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -110.84 -69.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -128.25 145.85 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.3 116.73 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 62' ' ' LEU . 1.7 pp -144.95 143.68 21.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.594 0.711 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.04 27.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' HB3' ' CB ' ' A' ' 84' ' ' ARG . 35.5 t-80 -129.33 136.89 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.4 t -178.94 134.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.81 15.6 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.0 mp -54.12 133.24 59.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.51 -34.91 74.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 t -68.01 138.09 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -88.71 -33.78 17.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.03 1.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.97 132.23 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.38 -179.2 19.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.606 ' CE1' ' ND2' ' A' ' 77' ' ' ASN . 36.2 t-80 -160.36 147.99 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 77' ' ' ASN . 16.6 m -63.52 -47.11 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.606 ' ND2' ' CE1' ' A' ' 75' ' ' HIS . 16.0 p30 -54.32 -17.21 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 62.3 43.0 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 80' ' ' PHE . 2.6 m -128.8 -39.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 50.8 m-85 -101.37 -179.13 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 82' ' ' THR . 26.8 m -127.27 26.36 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.1 p -155.67 162.02 40.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' ' O ' ' A' ' 64' ' ' HIS . 53.4 p-80 -169.63 148.87 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 37.2 ptt85 -133.59 36.47 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -171.21 142.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.794 HD22 ' ND2' ' A' ' 92' ' ' ASN . 9.8 mt -44.86 -33.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -58.63 -39.28 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.47 20.67 45.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.459 ' SG ' HD22 ' A' ' 67' ' ' LEU . 40.0 t -98.59 107.56 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.6 Cg_endo -69.75 -14.33 35.97 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -90.9 -24.61 20.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.794 ' ND2' HD22 ' A' ' 86' ' ' LEU . 21.4 t30 -86.59 -46.24 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.78 -50.92 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -47.38 -44.11 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 88.7 t -68.53 -45.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' LYS . 48.1 mm -35.15 -40.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' ILE . 12.8 mtpp -35.7 131.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -149.8 157.18 42.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.36 131.42 1.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.96 132.3 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.5 t -101.8 132.79 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 p -49.29 113.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -150.33 152.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.97 -178.44 51.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -100.87 160.04 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.0 m -41.44 -50.34 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.486 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 143.91 50.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -102.92 -41.26 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 172.3 48.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -132.67 178.93 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.832 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -150.79 164.58 35.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 123.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -117.42 121.7 41.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.65 153.46 20.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -174.51 -179.74 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' LYS . 15.0 t -34.44 104.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.77 -11.75 31.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 113.42 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.65 144.09 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.43 -31.42 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.79 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.7 t -70.02 163.72 25.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -20.49 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.17 -24.61 30.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.26 162.06 28.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.21 176.22 51.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -149.66 133.35 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 tt -46.51 -33.9 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.4 m -76.6 -39.07 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.94 -39.27 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -50.96 -50.25 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.321 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 p -100.47 34.18 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -170.96 157.76 5.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.0 p-80 -159.36 149.71 19.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.97 20.94 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.4 p -143.6 141.26 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.9 67.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -56.68 -40.43 75.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.26 4.42 62.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 t -71.24 111.91 11.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 52.8 Cg_endo -69.86 -32.08 18.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.79 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -68.94 -28.91 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' GLN . . . -70.77 -37.0 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.72 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -76.64 -46.42 25.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.622 ' HG3' HD23 ' A' ' 38' ' ' LEU . 20.8 mtp85 -40.5 -30.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 39' ' ' ALA . 1.3 mp0 -83.53 40.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -133.43 76.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' ASN . 22.9 mt-10 -122.45 -48.2 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 45' ' ' GLU . 12.4 t-20 -32.53 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.656 0.741 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 53.3 Cg_endo -69.76 -48.58 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.215 . . . . 0.0 112.322 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 tp 48.65 41.47 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -44.55 126.86 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -154.61 25.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.0 92.54 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' LEU . 10.5 p -132.71 -50.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' SER . 54.2 mt 34.85 43.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -146.48 123.37 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.483 ' CE3' ' HG2' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -66.89 170.83 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 8.3 ptpt -81.5 42.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 tp -93.76 46.81 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -92.36 99.34 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -69.76 146.29 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -106.43 162.65 13.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.96 154.8 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.09 160.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.82 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' CYS . 60.1 m80 -92.85 156.99 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 37.9 t -33.96 134.53 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.25 15.05 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.539 HD22 ' SG ' ' A' ' 89' ' ' CYS . 8.1 mp -52.58 134.5 44.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.48 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.288 . . . . 0.0 112.302 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.72 -31.41 65.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.728 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.8 t -72.19 134.89 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -90.23 -40.95 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.61 38.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.5 101.33 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.09 -179.98 22.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -166.77 137.38 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.807 HG12 ' HA ' ' A' ' 90' ' ' PRO . 22.9 m -62.31 -26.37 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -69.32 -28.77 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.4 t30 71.86 39.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 80' ' ' PHE . 20.3 m -128.04 -29.28 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 79' ' ' VAL . 55.5 m-85 -117.96 174.4 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 82' ' ' THR . 35.3 m -120.61 35.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 81' ' ' VAL . 23.6 p -158.62 165.05 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.23 138.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -122.38 44.48 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.5 p -173.77 169.84 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' ND2' ' A' ' 92' ' ' ASN . 33.0 mt -70.54 -55.77 8.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.2 p -42.61 -35.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -84.98 -31.64 22.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.539 ' SG ' HD22 ' A' ' 67' ' ' LEU . 7.9 t -54.65 112.99 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.807 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 -49.87 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -60.13 -32.19 70.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.604 ' O ' HG12 ' A' ' 95' ' ' VAL . 38.6 t30 -67.97 -48.05 66.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.5 -20.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -78.17 -37.02 46.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 92' ' ' ASN . 9.8 p -84.28 -30.5 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mt -48.53 -23.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 144.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -103.89 -54.62 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.9 98.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 10.9 tptm 68.13 54.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' LYS . 60.8 t -34.03 -50.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 m -144.58 132.81 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.4 p -53.45 171.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.21 -123.93 7.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 161.09 47.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -124.56 103.95 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.3 p -100.03 112.61 24.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.447 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -99.86 157.87 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -164.98 177.38 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 -162.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -172.77 175.29 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -148.0 176.78 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.36 123.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.226 . . . . 0.0 112.381 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -128.28 173.2 10.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.61 122.73 22.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -166.57 160.53 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 31' ' ' ARG . 11.5 t -48.68 108.56 0.97 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.23 37.63 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' SG ' ' A' ' 36' ' ' CYS . 17.1 t -68.58 102.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.5 mp -51.94 153.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -32.57 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.3 t -69.81 159.28 33.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.824 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -20.56 20.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 91.88 -21.92 34.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.521 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.64 148.88 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 28' ' ' THR . . . 101.63 -166.67 18.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 22.0 t-80 -170.09 135.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.3 tt -57.06 -15.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.96 -38.08 13.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.88 -42.07 2.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -56.9 -52.61 64.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 50.3 m-85 -78.38 142.58 37.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 21' ' ' GLY . 61.5 p -105.59 32.0 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -171.62 162.73 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -163.04 150.48 13.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -134.08 16.4 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -140.78 134.11 29.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.8 -38.65 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.7 p -56.71 -38.75 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.73 8.81 63.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.17 112.96 34.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.74 -30.73 21.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 17' ' ' CYS . 9.0 tt -68.2 -35.29 77.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.07 80.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.89 72.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -80.58 -30.86 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' NE ' ' OE1' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -54.86 -36.18 64.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -42.54 -24.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ARG . 15.9 tttp -130.8 76.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' OE1' ' NE ' ' A' ' 42' ' ' ARG . 72.6 tt0 -129.81 97.95 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -110.69 87.49 6.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 3.02 3.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -39.29 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -94.16 107.13 19.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.36 -41.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -35.8 125.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -148.99 157.27 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.69 131.08 28.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 p -132.74 -45.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.78 169.6 14.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -115.3 -58.02 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -113.67 108.14 16.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 27.3 m-20 -174.34 109.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -96.97 110.92 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -174.17 109.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.26 106.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.7 mt -114.93 152.74 46.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.98 13.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 84' ' ' ARG . 15.8 m170 -117.39 38.0 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.5 t -104.35 138.52 19.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.28 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.297 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -44.92 131.37 5.29 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.52 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.3 -37.57 90.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.437 ' SG ' HD13 ' A' ' 91' ' ' LEU . 17.5 t -63.04 137.71 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 73' ' ' LEU . 5.9 m-20 -99.43 22.95 9.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.73 34.75 78.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 71' ' ' ASN . 17.7 mt -123.74 128.89 50.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.82 165.03 19.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -137.98 143.72 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 90' ' ' PRO . 17.5 m -62.96 -17.71 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.517 ' HB3' HG22 ' A' ' 79' ' ' VAL . 57.4 t30 -88.34 -8.75 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 61.51 48.8 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 80' ' ' PHE . 5.3 m -132.74 -55.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' H ' HG23 ' A' ' 79' ' ' VAL . 82.3 m-85 -91.87 175.1 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 82' ' ' THR . 28.9 m -122.54 31.53 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' VAL . 34.3 p -157.82 164.22 37.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -173.0 152.62 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -131.49 38.5 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' HD21 ' A' ' 48' ' ' LEU . 4.7 t -172.94 166.54 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.785 HD22 ' ND2' ' A' ' 92' ' ' ASN . 20.5 mt -68.76 -46.39 68.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 t -50.7 -27.52 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.493 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -100.09 -17.31 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.96 114.1 22.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.722 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.74 -30.6 22.1 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -76.69 -23.88 53.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.785 ' ND2' HD22 ' A' ' 86' ' ' LEU . 46.3 t30 -82.85 -36.15 25.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.12 -62.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -48.18 -41.74 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.09 -49.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' LYS . 86.4 mt -50.48 -47.69 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' ILE . 27.0 ttpt 35.66 50.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.74 -105.54 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 51.55 38.86 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 101' ' ' VAL . 34.8 m -45.57 121.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 28.8 t -69.95 89.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' SER . 95.4 p 34.44 41.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.61 -172.39 22.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 t -112.74 42.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 p -58.83 162.47 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.432 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.3 m -68.66 -46.92 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.4 t -36.74 154.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.51 -174.22 27.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -171.93 136.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -163.51 160.29 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.96 148.06 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -88.57 119.29 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.02 163.17 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' CYS . 28.9 pttt -146.64 150.22 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.1 t -34.89 102.42 0.22 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.2 Cg_endo -69.82 -7.03 20.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -76.99 107.89 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 16' ' ' GLY . 33.4 mm -56.23 155.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 81.58 -36.35 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' LEU . 10.2 t -65.76 163.73 16.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.69 -19.74 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 30' ' ' HIS . . . 97.21 -26.11 24.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.32 164.56 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.73 -178.88 53.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 23.1 t-80 -152.27 138.22 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 2.0 tp -51.51 -35.04 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 3.2 m -79.83 -37.51 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.39 -43.68 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -44.91 -55.98 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 70.0 m-85 -79.63 143.42 34.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 5.5 t -98.37 29.13 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -172.36 160.35 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.9 p-80 -154.45 152.09 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -134.54 21.2 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.5 p -145.98 148.62 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.06 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.2 m -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.79 3.22 55.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 45.3 t -71.6 112.67 14.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.744 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.9 Cg_endo -69.78 -30.75 21.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 17' ' ' CYS . 7.4 tt -72.14 -29.3 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -69.49 -37.72 77.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -65.78 -38.04 87.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' HD2' HD23 ' A' ' 38' ' ' LEU . 21.3 mtt-85 -75.02 -60.47 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' LYS . 1.9 pt20 -46.19 -41.33 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLN . 31.4 tttt -36.71 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -118.64 -44.88 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -66.63 114.77 19.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.9 Cg_endo -69.78 6.71 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -30.76 142.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.603 ' N ' HD22 ' A' ' 48' ' ' LEU . 4.6 m-20 -107.6 -64.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.48 -139.44 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.32 -178.49 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -108.61 124.62 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.9 mt -121.98 122.55 39.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.6 p -119.33 141.76 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -111.75 87.39 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -119.08 44.37 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.9 mp -111.33 136.65 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -56.0 -52.41 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.33 157.39 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -160.09 124.6 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -113.53 156.1 24.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD13 ' NH2' ' A' ' 84' ' ' ARG . 27.5 mt -67.81 127.03 93.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -87.35 157.46 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 t -42.82 134.06 2.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.649 0.738 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' LEU . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.574 HD22 ' SG ' ' A' ' 89' ' ' CYS . 7.9 mp -34.38 130.63 0.44 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -18.04 37.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.25 . . . . 0.0 112.396 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.39 40.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.845 ' SG ' HD11 ' A' ' 91' ' ' LEU . 18.8 t -132.44 130.53 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.14 -39.47 49.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA2' ' CE1' ' A' ' 83' ' ' HIS . . . 114.43 25.83 3.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.81 123.32 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 169.97 14.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -148.75 143.06 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 90' ' ' PRO . 31.3 m -60.24 -23.1 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.61 ' HB3' HG22 ' A' ' 79' ' ' VAL . 49.9 t30 -84.85 5.51 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 p30 42.61 52.04 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.61 HG22 ' HB3' ' A' ' 77' ' ' ASN . 5.6 m -134.94 -51.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' N ' HG23 ' A' ' 79' ' ' VAL . 69.9 m-85 -97.29 159.07 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 30.4 m -106.88 30.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 81' ' ' VAL . 11.2 p -155.01 160.59 41.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' HA2' ' A' ' 72' ' ' GLY . 57.1 p-80 -171.21 141.66 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' NH2' HD13 ' A' ' 62' ' ' LEU . 89.8 mtt-85 -126.67 43.36 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -173.94 159.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.31 -46.22 91.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.7 t -49.23 -48.03 45.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.18 -22.03 74.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.574 ' SG ' HD22 ' A' ' 67' ' ' LEU . 8.8 t -59.92 112.59 5.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.722 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.742 ' HA ' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.845 HD11 ' SG ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -59.14 -31.39 68.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -66.7 -41.08 88.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.65 -61.4 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -42.73 -27.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' LEU . 61.2 t -74.85 -48.59 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.3 mt -53.85 124.63 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 1.9 ttmp? -174.22 152.24 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' LYS . 37.9 tttt -123.08 -51.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.87 51.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -126.69 117.09 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.55 41.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -68.84 -42.9 76.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -86.49 134.14 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.99 -96.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 90.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 p -42.52 -54.66 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.5 p 43.03 43.46 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.539 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -153.94 159.28 41.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -167.64 167.9 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 144.8 6.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -165.37 159.95 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -162.52 163.85 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.97 108.04 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.18 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -131.65 129.98 41.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.57 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' CYS . 24.6 pttm -152.93 139.41 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' LYS . 46.2 t -34.1 98.73 0.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.59 16.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -72.02 125.22 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.04 145.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.29 -35.88 2.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.58 148.51 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.61 32.67 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 30' ' ' HIS . . . 46.02 41.73 11.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' N ' ' CE1' ' A' ' 30' ' ' HIS . 36.0 mt-30 -113.41 130.38 56.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.45 -166.1 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -161.22 128.89 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.5 tt -47.76 -28.07 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.0 m -78.81 -40.83 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.56 -38.21 3.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -51.37 66.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -84.63 149.63 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.4 p -109.69 36.23 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.184 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -171.59 157.99 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 36' ' ' CYS . 54.7 p-80 -161.54 139.4 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -125.14 27.18 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -151.23 142.19 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.24 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -53.36 -40.76 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.39 61.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 42.5 t -80.53 111.36 22.25 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 -31.8 19.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.65 -32.88 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.71 -40.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.23 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -48.1 -54.38 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -70.93 -50.37 35.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -88.52 47.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 46' ' ' ASN . 12.7 mt-10 -62.49 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 45' ' ' GLU . 6.2 m120 -33.73 111.33 0.38 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -52.34 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.366 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -160.01 179.26 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -162.88 156.47 20.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.74 -158.13 15.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.61 -61.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -94.5 160.12 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.582 ' H ' HD23 ' A' ' 53' ' ' LEU . 1.2 pt? -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -80.95 155.59 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -47.09 112.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.33 150.43 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.17 171.65 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.21 156.15 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.91 -49.08 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -70.24 126.59 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -125.09 110.31 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 84' ' ' ARG . 1.8 pp -46.96 156.94 0.5 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.2 54.31 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' CYS . 14.7 m-70 -77.47 173.87 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' HIS . 49.8 t -37.26 134.76 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -41.69 4.04 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.61 135.47 10.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.89 92.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' SG ' HD13 ' A' ' 91' ' ' LEU . 5.8 t -72.59 120.4 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -76.49 -44.34 35.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.01 38.18 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 118.85 24.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.92 17.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -173.33 134.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.6 m -54.12 -39.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.527 ' O ' HG13 ' A' ' 79' ' ' VAL . 98.5 m-20 -55.71 -13.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 53.95 33.48 17.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 77' ' ' ASN . 28.5 m -122.48 -40.71 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 79' ' ' VAL . 59.4 m-85 -101.15 176.78 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.86 22.39 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -144.6 162.32 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -171.53 129.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.747 ' HG3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.02 45.7 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.1 p -175.18 161.9 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD22 ' CG ' ' A' ' 92' ' ' ASN . 22.3 mt -65.77 -52.25 52.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.8 p -45.54 -31.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.42 -29.05 10.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.52 115.15 10.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' HG2' HD12 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.82 -26.53 27.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD12 ' HG2' ' A' ' 90' ' ' PRO . 3.4 mp -79.55 -26.34 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.662 ' O ' HG12 ' A' ' 95' ' ' VAL . 21.9 t30 -82.11 -34.12 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -72.91 -31.26 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -74.57 -41.06 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 92' ' ' ASN . 2.7 p -60.81 -22.47 26.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 93' ' ' ALA . 96.0 mt -47.83 -34.63 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 98' ' ' LYS . 12.6 ptmm? 35.36 50.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -29.19 141.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.24 -134.31 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -91.84 111.12 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.91 94.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -89.11 81.09 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -65.48 99.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.46 136.4 14.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 126.78 13.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -57.55 160.58 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.6 p -90.33 166.99 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -56.01 -52.6 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -57.52 165.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -135.88 4.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -125.64 172.26 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -118.26 -49.77 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.05 93.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.421 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 10.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -132.36 137.33 47.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 11' ' ' LYS . 39.2 tp -96.5 160.13 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 10' ' ' LEU . 3.4 mptt -153.15 178.63 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' LYS . 22.7 t -36.04 105.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.4 Cg_endo -69.72 -12.56 33.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.5 112.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 16' ' ' GLY . 49.1 mm -55.83 151.63 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 15' ' ' ILE . . . 82.56 -38.32 2.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.7 t -72.24 152.98 41.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -104.18 -12.07 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.85 16.01 57.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -93.18 136.88 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.11 -162.66 23.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLY . 58.2 t-80 -167.77 125.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 24' ' ' SER . 7.2 tt -36.24 -43.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 23' ' ' ILE . 25.7 m -68.39 -41.7 80.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 108.22 -40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -47.36 -54.57 10.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -81.35 157.72 24.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' THR . 5.7 t -112.53 29.14 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -168.42 154.7 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 55.8 p-80 -154.03 149.43 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -132.59 17.63 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.2 p -142.54 136.6 29.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.46 -39.19 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 m -55.94 -39.71 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.49 9.48 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 32.3 t -81.08 112.54 33.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD2' ' CE1' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.76 -30.39 22.35 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 38' ' ' LEU . 6.6 tt -69.94 -26.01 63.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.45 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' A' ' 23' ' ' ILE . . . -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -43.3 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HG3' HD23 ' A' ' 38' ' ' LEU . 15.8 mtp85 -53.88 -51.73 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' ARG . 9.9 mt-30 -35.71 -44.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -109.24 80.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -92.9 42.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 65.8 t30 53.18 54.11 12.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.77 3.88 2.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pp -161.18 163.03 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -126.5 106.56 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.04 -53.68 0.53 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.73 156.88 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -170.77 -179.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 54' ' ' SER . 8.9 mt 53.75 45.05 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.545 ' HA ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -34.35 -56.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' SER . 90.7 m95 -35.57 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 46.95 39.93 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -51.49 133.19 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.634 ' N ' HD13 ' A' ' 57' ' ' LEU . 35.6 m120 -40.07 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -112.74 164.78 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 pm0 -117.2 40.44 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 62' ' ' LEU . 9.1 pt-20 -43.89 112.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.806 HD13 ' HD3' ' A' ' 84' ' ' ARG . 18.3 mt -34.49 151.7 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -68.9 168.2 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.1 t -43.19 132.55 3.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 86' ' ' LEU . 53.8 Cg_endo -69.73 -44.33 2.16 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' PRO . 1.3 tp -33.2 124.93 0.43 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.98 7.47 31.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 91' ' ' LEU . 10.7 t -118.18 167.35 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.65 -36.12 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.45 21.03 4.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.33 109.26 16.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' ND1' ' A' ' 83' ' ' HIS . . . 132.44 166.67 11.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -142.7 141.49 31.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -64.22 -32.38 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.528 ' HB3' HG22 ' A' ' 79' ' ' VAL . 46.8 t30 -77.07 3.36 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.04 42.87 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 77' ' ' ASN . 16.2 m -124.31 -46.9 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 79' ' ' VAL . 72.8 m-85 -97.29 173.22 7.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -116.16 2.8 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -133.79 163.26 29.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 35.2 p-80 -172.6 110.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.806 ' HD3' HD13 ' A' ' 62' ' ' LEU . 27.8 ptt85 -100.03 41.1 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.6 p -169.74 141.62 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 66' ' ' PRO . 32.6 mt -51.48 -36.3 43.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -46.19 -47.62 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.42 35.79 4.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 42.0 t -97.73 106.61 34.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' CYS . 53.7 Cg_endo -69.75 -19.59 35.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 70' ' ' CYS . 3.0 mt -83.58 -24.55 31.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -89.81 -49.76 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 96' ' ' ILE . . . -45.35 -51.34 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -53.31 -41.3 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.46 -32.22 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 93' ' ' ALA . 7.4 mt -84.68 50.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -77.34 129.55 35.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 127.29 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.75 -30.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 149.86 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.17 139.0 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.6 t -137.12 161.77 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 m -61.53 105.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . 171.06 98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.54 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.8 Cg_endo -69.76 96.91 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.624 2.216 . . . . 0.0 112.384 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.2 m -105.82 135.26 47.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -126.44 135.56 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_