data_2kcv_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 2kcv _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 ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.489 1.252 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.448 ' HB3' HG12 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 113.685 0.609 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HA ' HD11 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.597 HG21 HG22 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG22 HG21 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.582 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.545 1.029 0 N-CA-C 113.083 0.378 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.645 ' HA ' ' HH ' ' A' ' 39' ' ' TYR . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.645 ' HH ' ' HA ' ' A' ' 7' ' ' PHE . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 56' ' ' THR . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HB3' HD11 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 CA--C 1.543 0.972 0 N-CA-C 114.814 1.044 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.716 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' HD12 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.716 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HA ' ' HZ2' ' A' ' 88' ' ' LYS . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.654 ' HZ2' ' HA ' ' A' ' 85' ' ' ALA . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.546 1.101 0 N-CA-C 113.683 0.609 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 92.1 m-70 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 14.6 m120 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 HG22 HD13 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.669 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.491 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo . . . . . 0 CA--C 1.543 0.933 0 N-CA-C 114.606 0.964 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' HD12 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 HG21 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.545 ' O ' HG12 ' A' ' 60' ' ' ILE . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG21 HG23 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 CA--C 1.544 1.011 0 N-CA-C 113.067 0.372 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 HG21 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.528 HG22 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG21 HG23 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD21 ' NE2' ' A' ' 76' ' ' GLN . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.48 0.682 0 CA-C-O 119.333 -0.361 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HB2' HD23 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.664 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.522 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 HD13 ' HB1' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 88' ' ' LYS . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 85' ' ' ALA . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo . . . . . 0 N--CA 1.486 1.062 0 CA-C-O 119.065 -0.473 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.432 ' O ' HG13 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.517 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.73 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.73 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.562 ' HB3' HG13 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.664 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.664 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 CA--C 1.546 1.102 0 N-CA-C 114.544 0.94 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD23 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 63' ' ' TYR . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HB3' HG13 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 CA--C 1.545 1.073 0 N-CA-C 113.855 0.675 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' HD13 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HA ' HD13 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD21 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.402 ' HA ' HE21 ' A' ' 83' ' ' GLN . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 80' ' ' SER . 23.4 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HE3' HG21 ' A' ' 60' ' ' ILE . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 115.028 1.126 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' HD13 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.47 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 78' ' ' ASP . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.49 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' ' 37' ' ' PRO . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.706 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.706 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.474 ' HB3' HG13 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 N-CA-C 114.102 0.77 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.464 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG22 HG21 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 HD11 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HG22 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 N-CA-C 114.727 1.01 . . . . 0.0 114.727 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 HD21 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB3' HG12 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.71 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.71 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo . . . . . 0 N--CA 1.475 0.427 0 CA-C-O 119.583 -0.257 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HZ3' ' HB3' ' A' ' 18' ' ' LYS . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' O ' HG13 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.584 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HZ3' ' HB3' ' A' ' 48' ' ' LYS . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 60' ' ' ILE . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 HD12 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB3' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 N--CA 1.484 0.937 0 N-CA-C 113.3 0.462 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 17' ' ' LEU . 94.7 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.649 ' HB3' HG12 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 113.974 0.721 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.61 HD22 HD21 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG13 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 78' ' ' ASP . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD22 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 N-CA-C 114.276 0.837 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG21 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HG ' ' NE2' ' A' ' 83' ' ' GLN . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.458 ' NE2' ' HG ' ' A' ' 79' ' ' LEU . 49.6 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB3' HG21 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 CA-C-O 119.248 -0.397 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 HG21 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 HG21 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.691 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.57 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.47 0.653 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.07 146.07 35.45 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.36 1.064 . . . . 0.0 108.203 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 60.4 Cg_endo -69.76 10.68 0.46 Allowed 'Trans proline' 0 C--N 1.368 1.577 0 C-N-CA 122.643 2.229 . . . . 0.0 113.56 175.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.81 -25.17 17.49 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.59 0.756 . . . . 0.0 110.633 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.64 136.98 96.95 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 123.211 0.605 . . . . 0.0 110.148 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.03 -51.93 9.13 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.773 2.982 . . . . 0.0 113.395 -171.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.448 ' HB3' HG12 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.494 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -63.27 -32.56 74.0 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 6.8 mm-40 -54.65 -30.49 55.37 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.249 1.02 . . . . 0.0 110.925 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.96 -1.93 51.95 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.651 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 71.3 mt -68.17 -67.43 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.047 0.924 . . . . 0.0 109.839 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 95' ' ' HIS . 9.4 pt-20 -77.44 -24.25 50.37 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.041 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.7 t60 58.02 23.12 9.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.076 0.951 . . . . 0.0 110.493 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.436 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 45.0 t-80 -122.03 24.36 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.975 1.31 . . . . 0.0 108.323 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -66.07 149.67 49.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.465 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.9 171.01 7.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.539 0.736 . . . . 0.0 110.327 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -86.81 103.2 15.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.376 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.77 148.05 78.75 Favored Pre-proline 0 N--CA 1.474 0.767 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 64.8 Cg_endo -83.65 2.29 8.4 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 121.913 1.742 . . . . 0.0 113.014 174.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 17.8 mm-40 -63.75 -24.09 67.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.517 0.727 . . . . 0.0 111.744 -173.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 131.5 92.88 Favored Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 123.43 0.692 . . . . 0.0 109.58 168.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.06 -50.95 12.26 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.548 2.832 . . . . 0.0 113.685 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HA ' HD11 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.597 HG21 HG22 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG22 HG21 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.582 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.19 73.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.611 ' HA ' ' HB3' ' A' ' 94' ' ' HIS . 50.7 mt-10 -65.25 -30.61 71.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.57 0.348 . . . . 0.0 110.562 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.72 59.97 Favored Glycine 0 C--N 1.349 1.295 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.806 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.67 -58.23 3.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.269 0.627 . . . . 0.0 111.033 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -154.73 -22.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.611 ' HB3' ' HA ' ' A' ' 90' ' ' GLU . 47.0 t-80 -79.51 6.79 9.49 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.858 0.361 . . . . 0.0 111.586 -174.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m80 64.82 87.5 0.11 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.048 1.339 . . . . 0.0 109.938 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -66.07 103.47 0.96 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.416 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -70.33 145.32 51.29 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 165.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -63.65 -87.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.299 0.639 . . . . 0.0 111.219 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 C--O 1.245 0.824 0 C-N-CA 125.106 1.362 . . . . 0.0 108.4 177.245 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.015 0.436 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -117.35 164.6 18.51 Favored Pre-proline 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.158 . . . . 0.0 110.141 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -61.91 -18.17 59.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.67 -11.94 59.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.987 0.915 . . . . 0.0 112.619 -175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.31 132.12 95.16 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.245 172.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.84 -39.58 67.78 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.518 2.812 . . . . 0.0 113.083 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.645 ' HA ' ' HH ' ' A' ' 39' ' ' TYR . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.645 ' HH ' ' HA ' ' A' ' 7' ' ' PHE . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 56' ' ' THR . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HB3' HD11 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -65.63 -37.5 86.75 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HG3' HD13 ' A' ' 60' ' ' ILE . 41.4 mt-10 -64.22 -26.68 68.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.277 0.631 . . . . 0.0 110.689 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.81 -6.47 76.21 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.087 -0.841 . . . . 0.0 114.013 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.0 mt -68.0 -59.93 2.89 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.691 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -43.4 6.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.958 0.503 . . . . 0.0 109.898 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 45.37 69.61 0.43 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.629 1.572 . . . . 0.0 111.935 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -59.58 109.78 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.059 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -59.36 112.23 1.67 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.067 0.947 . . . . 0.0 110.494 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -79.77 5.1 14.41 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.249 1.019 . . . . 0.0 112.03 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -116.26 105.77 12.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.251 1.02 . . . . 0.0 109.467 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 124.428 1.091 . . . . 0.0 108.403 175.176 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -115.6 156.2 46.42 Favored Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 124.257 1.023 . . . . 0.0 109.504 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.08 0.63 6.96 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.111 1.874 . . . . 0.0 112.369 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -90.48 -26.65 19.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.677 1.191 . . . . 0.0 110.513 170.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.29 124.42 89.75 Favored Pre-proline 0 N--CA 1.48 1.062 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.024 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.72 -57.3 1.93 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 124.49 3.46 . . . . 0.0 114.814 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.716 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' HD12 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD11 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.716 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HA ' ' HZ2' ' A' ' 88' ' ' LYS . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.654 ' HZ2' ' HA ' ' A' ' 85' ' ' ALA . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.46 66.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 19.3 mm-40 -60.1 -23.51 63.89 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.964 0.506 . . . . 0.0 111.26 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.99 2.48 25.92 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 114.13 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.33 -70.59 0.68 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.062 0.945 . . . . 0.0 109.958 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 5.0 pt-20 -157.45 -54.94 0.08 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 45.9 t60 51.76 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.958 1.303 . . . . 0.0 110.89 -165.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 58.25 38.55 26.13 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.494 0.718 . . . . 0.0 110.262 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -52.75 -49.78 64.8 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.965 0.906 . . . . 0.0 111.94 -173.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.0 t60 58.92 85.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.834 1.254 . . . . 0.0 110.114 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.32 111.36 2.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -67.42 124.54 89.36 Favored Pre-proline 0 N--CA 1.481 1.09 0 CA-C-O 120.705 0.288 . . . . 0.0 110.774 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -85.88 18.26 1.6 Allowed 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.238 1.959 . . . . 0.0 112.782 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.15 -37.55 38.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.335 0.654 . . . . 0.0 109.439 170.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.1 129.18 93.84 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.203 0.601 . . . . 0.0 110.355 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.58 -49.48 17.34 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.795 2.997 . . . . 0.0 113.683 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 92.1 m-70 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 14.6 m120 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.463 HD12 ' HG3' ' A' ' 90' ' ' GLU . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.481 HG22 HD13 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.669 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.491 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.62 65.21 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HG3' HD12 ' A' ' 60' ' ' ILE . 48.6 mt-10 -74.36 -24.37 59.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.771 0.828 . . . . 0.0 110.154 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.0 95.21 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 168.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.57 -39.86 84.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.572 0.749 . . . . 0.0 109.863 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -91.4 7.5 40.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.402 0.681 . . . . 0.0 112.688 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -87.92 69.8 9.45 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -90.86 167.18 12.64 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.492 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -77.97 127.32 32.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.409 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -69.32 163.64 24.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.706 0.403 . . . . 0.0 110.753 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 71.38 -73.68 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.092 1.357 . . . . 0.0 108.465 -163.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 0.0 107.351 173.281 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.96 140.45 90.33 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 124.194 0.998 . . . . 0.0 109.34 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -56.1 -29.87 76.53 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.765 2.31 . . . . 0.0 113.838 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.538 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 36.7 mt-10 -80.0 -10.07 59.74 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.157 0.583 . . . . 0.0 112.327 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.522 ' HB2' ' HG1' ' A' ' 8' ' ' THR . 79.2 m-20 -65.95 137.62 96.03 Favored Pre-proline 0 N--CA 1.485 1.278 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.056 173.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.96 -50.48 10.82 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.735 2.957 . . . . 0.0 114.606 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.522 ' HG1' ' HB2' ' A' ' 5' ' ' ASP . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' HD12 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG23 HG21 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.593 ' HB ' ' HG2' ' A' ' 93' ' ' GLU . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG21 HG23 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 56' ' ' THR . . . -65.09 -23.26 67.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -53.17 -28.08 24.61 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 123.689 0.795 . . . . 0.0 111.699 167.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.15 -22.34 78.87 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.907 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.43 ' HB2' HG23 ' A' ' 56' ' ' THR . 87.3 mt -76.85 -68.87 0.56 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.593 ' HG2' ' HB ' ' A' ' 56' ' ' THR . 9.4 pt-20 -132.81 89.59 2.65 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.005 0.907 . . . . 0.0 110.519 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -83.8 -11.85 56.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.225 164.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -80.24 97.65 7.04 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 121.886 0.85 . . . . 0.0 109.623 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.33 139.7 10.88 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -110.31 2.76 19.34 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.547 0.339 . . . . 0.0 111.475 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.71 176.75 8.55 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.41 0.624 . . . . 0.0 110.767 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 161.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 119.986 -0.054 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.46 116.07 65.86 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 73.2 Cg_endo -70.11 -13.8 34.22 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.509 2.139 . . . . 0.0 112.047 176.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.77 -19.57 62.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.252 1.021 . . . . 0.0 112.583 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.23 132.92 90.39 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.802 -0.618 . . . . 0.0 109.72 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.61 -52.04 8.47 Favored 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 123.423 2.749 . . . . 0.0 113.067 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD23 HD23 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' HD12 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 HG21 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.528 HG22 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG21 HG23 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.62 -25.4 64.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 60.7 mt-10 -65.81 -29.91 70.47 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.904 0.481 . . . . 0.0 110.31 170.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.548 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -67.71 -26.58 73.75 Favored Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.518 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.33 -32.16 58.53 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.338 0.655 . . . . 0.0 110.13 174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -70.15 -66.39 0.6 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.56 0.744 . . . . 0.0 111.185 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -165.44 117.53 1.14 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.548 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 52.1 t-80 -140.57 115.21 9.5 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.729 . . . . 0.0 109.907 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -87.38 -70.92 0.59 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.03 94.84 0.76 Allowed 'General case' 0 C--N 1.349 0.549 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -69.0 -53.63 19.51 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.322 0.649 . . . . 0.0 110.046 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.475 0.179 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.81 139.5 21.89 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.4 Cg_exo -54.85 -4.69 0.37 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.775 2.983 . . . . 0.0 116.546 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.53 -34.84 63.08 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.809 0.444 . . . . 0.0 111.433 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.72 138.03 89.99 Favored Pre-proline 0 N--CA 1.491 1.617 0 C-N-CA 124.023 0.929 . . . . 0.0 111.123 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -54.61 -46.54 32.65 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.405 2.736 . . . . 0.0 112.828 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD22 HD21 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD21 ' NE2' ' A' ' 76' ' ' GLN . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.81 61.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.74 -28.88 62.91 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.119 0.568 . . . . 0.0 110.503 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.88 -24.37 66.6 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.666 170.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.22 -62.25 1.48 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.176 0.59 . . . . 0.0 110.824 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.6 32.39 0.37 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -74.6 -19.69 60.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.563 -0.711 . . . . 0.0 109.494 167.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.63 80.37 0.28 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.872 0.869 . . . . 0.0 109.533 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -69.19 130.59 43.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.592 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.74 104.94 2.57 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -59.13 129.78 43.77 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.06 0.85 . . . . 0.0 111.643 -173.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 123.688 0.795 . . . . 0.0 109.064 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.389 0.138 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -141.87 152.6 62.74 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 124.306 1.043 . . . . 0.0 110.31 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 58.6 Cg_endo -81.65 4.0 7.37 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.954 2.436 . . . . 0.0 112.781 172.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.05 -27.17 67.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.625 0.77 . . . . 0.0 110.666 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 135.87 94.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 110.347 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -58.97 -52.58 4.85 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 123.197 2.598 . . . . 0.0 112.532 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HB2' HD23 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD12 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.664 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.664 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.522 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 HD13 ' HB1' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 88' ' ' LYS . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 85' ' ' ALA . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.82 76.29 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.57 -35.33 72.21 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.43 -10.55 63.33 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 119.177 -0.791 . . . . 0.0 114.841 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.15 -68.28 0.39 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 118.243 1.021 . . . . 0.0 109.775 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.47 -51.85 13.68 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.721 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -86.84 69.16 10.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -91.73 166.12 12.94 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.692 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.0 107.85 1.09 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.802 0.841 . . . . 0.0 110.96 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -97.56 111.17 23.55 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.741 0.816 . . . . 0.0 109.035 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -158.29 167.57 29.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.514 0.726 . . . . 0.0 110.489 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.2 m80 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 169.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.54 126.1 78.32 Favored Pre-proline 0 C--N 1.351 0.642 0 O-C-N 123.711 0.632 . . . . 0.0 109.347 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -75.99 5.28 4.58 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.179 1.919 . . . . 0.0 111.854 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.33 -9.35 55.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.265 1.026 . . . . 0.0 111.059 170.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' HB3' ' HB ' ' A' ' 8' ' ' THR . 11.8 t70 -66.17 128.68 93.98 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.038 174.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -56.34 -59.74 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.359 2.706 . . . . 0.0 113.044 -171.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 5' ' ' ASP . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' O ' HG13 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.517 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.73 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.73 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.562 ' HB3' HG13 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.664 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.664 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -72.12 -29.96 64.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 44.3 mt-10 -68.86 -32.94 72.97 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 170.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.614 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -84.62 22.65 8.61 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.441 171.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.7 mt -105.51 -43.64 4.9 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 168.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -110.66 -53.25 2.71 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -68.48 -35.75 77.98 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.137 0.494 . . . . 0.0 109.788 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.614 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 22.6 m170 -116.38 90.11 3.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 168.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -50.98 119.08 3.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.883 0.873 . . . . 0.0 112.031 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -79.53 73.61 6.2 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.431 0.692 . . . . 0.0 110.004 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -137.03 121.86 18.74 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.715 0.806 . . . . 0.0 109.966 -175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 124.477 1.111 . . . . 0.0 108.115 174.786 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.543 0.687 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.99 140.68 21.63 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.671 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.44 -7.17 20.72 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.265 1.976 . . . . 0.0 112.725 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.46 -14.43 43.24 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.242 0.617 . . . . 0.0 111.153 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.73 128.37 85.55 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -47.51 -57.27 2.42 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.826 3.017 . . . . 0.0 114.544 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD23 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 HD11 ' HG3' ' A' ' 90' ' ' GLU . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 63' ' ' TYR . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HB3' HG13 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.44 65.07 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' HG3' HD11 ' A' ' 60' ' ' ILE . 49.8 mt-10 -70.52 -29.37 65.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.901 0.88 . . . . 0.0 109.951 171.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.98 -24.04 76.72 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 123.753 0.658 . . . . 0.0 112.899 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.53 -49.31 19.06 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.239 0.616 . . . . 0.0 109.51 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.6 45.68 1.01 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.62 0.768 . . . . 0.0 109.937 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -72.49 138.05 46.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.016 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 98' ' ' HIS . 20.6 t-80 -162.86 144.31 10.02 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.29 0.994 . . . . 0.0 108.872 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -79.96 29.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -155.33 28.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.957 1.303 . . . . 0.0 107.969 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 95' ' ' HIS . 53.0 t-80 -151.06 18.92 0.77 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.478 1.111 . . . . 0.0 110.041 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 117.911 -1.043 . . . . 0.0 109.186 -172.456 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.41 155.34 75.4 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 123.548 0.739 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 40.3 Cg_endo -66.19 3.91 1.15 Allowed 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 122.764 2.309 . . . . 0.0 113.651 172.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' HA ' HH11 ' A' ' 9' ' ' ARG . 45.0 mm-40 -80.42 -26.91 38.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.393 0.677 . . . . 0.0 111.443 168.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.9 132.65 89.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.033 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -48.69 -55.7 3.86 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.93 3.087 . . . . 0.0 113.855 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' HD13 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HA ' HD13 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD21 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.526 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.402 ' HA ' HE21 ' A' ' 83' ' ' GLN . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 80' ' ' SER . 23.4 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -64.12 -35.88 82.22 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 54.6 mt-10 -58.28 -25.61 62.0 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.901 0.48 . . . . 0.0 111.238 173.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.43 -24.1 54.87 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 119.184 -0.787 . . . . 0.0 113.748 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 96.8 mt -56.27 -43.54 78.89 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.469 0.707 . . . . 0.0 110.909 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.77 66.09 1.52 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.908 0.861 . . . . 0.0 109.77 171.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -79.33 80.72 5.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.422 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -99.02 112.33 24.49 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -72.72 144.56 47.62 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -73.83 159.51 32.76 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 122.979 0.512 . . . . 0.0 109.98 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -68.75 -25.94 64.99 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 123.708 0.803 . . . . 0.0 109.132 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.34 132.14 88.03 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.519 0.727 . . . . 0.0 110.27 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.0 2.65 4.62 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.233 1.956 . . . . 0.0 112.019 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.43 -31.24 37.59 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 110.848 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.19 143.3 83.22 Favored Pre-proline 0 N--CA 1.485 1.282 0 C-N-CA 123.817 0.847 . . . . 0.0 111.878 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.2 -64.1 0.23 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 124.084 3.19 . . . . 0.0 115.028 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' HD13 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.47 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 78' ' ' ASP . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.49 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' ' 37' ' ' PRO . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.706 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.706 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.474 ' HB3' HG13 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -70.11 -26.67 64.08 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 68.3 mm-40 -61.67 -40.56 95.38 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 167.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.61 -25.75 73.86 Favored Glycine 0 C--N 1.354 1.577 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.676 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.554 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 83.9 mt -62.26 -50.45 71.65 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 44.3 mt-10 -95.97 18.65 12.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.685 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.22 102.18 3.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.975 0.51 . . . . 0.0 110.248 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 t60 74.52 3.39 4.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.678 1.591 . . . . 0.0 111.529 -174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . 49.5 m-70 -92.24 109.02 20.39 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 67.9 24.76 7.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.443 1.097 . . . . 0.0 110.454 -170.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -138.48 140.65 39.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.754 1.222 . . . . 0.0 109.096 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 CA--C 1.559 1.323 0 C-N-CA 123.249 0.62 . . . . 0.0 110.152 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -124.15 154.85 68.47 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 109.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.2 Cg_exo -54.84 -10.02 2.31 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.281 2.654 . . . . 0.0 114.218 170.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.33 -40.65 93.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 170.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.0 134.97 96.22 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.75 0.82 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.94 -57.22 2.19 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 124.351 3.367 . . . . 0.0 114.102 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.464 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG22 HG21 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD11 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HG22 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.77 -32.44 69.29 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.98 -26.86 4.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.17 0.988 . . . . 0.0 112.962 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.54 18.32 57.3 Favored Glycine 0 C--N 1.348 1.195 0 CA-C-O 119.789 -0.451 . . . . 0.0 114.166 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -91.87 -80.57 0.35 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 117.453 0.626 . . . . 0.0 111.773 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.85 -46.67 88.54 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.276 0.63 . . . . 0.0 111.578 -170.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -149.27 128.7 13.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.699 1.2 . . . . 0.0 108.17 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -72.36 99.11 2.36 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 168.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -44.35 96.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.267 1.427 . . . . 0.0 113.322 -163.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -114.89 96.19 5.59 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.837 -1.529 . . . . 0.0 107.047 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.33 93.97 8.36 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.383 173.586 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -79.78 151.33 73.74 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.451 0.701 . . . . 0.0 110.313 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.82 5.76 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.749 2.299 . . . . 0.0 113.903 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.54 -32.86 36.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.335 1.054 . . . . 0.0 110.605 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' HB2' ' HG1' ' A' ' 8' ' ' THR . 9.9 m-20 -66.83 126.38 92.29 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.87 0.868 . . . . 0.0 109.641 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.09 -54.44 5.45 Favored 'Trans proline' 0 C--N 1.385 2.495 0 C-N-CA 124.065 3.177 . . . . 0.0 114.727 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.501 ' HG1' ' HB2' ' A' ' 5' ' ' ASP . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 HD21 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.563 HG22 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB3' HG12 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.71 ' HA ' ' HZ3' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.71 ' HZ3' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.68 75.01 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.99 -24.29 67.47 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.681 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.19 -28.81 57.6 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-O 119.052 -0.86 . . . . 0.0 113.694 171.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.65 -45.27 77.7 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 117.865 0.832 . . . . 0.0 110.081 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -132.63 98.84 4.45 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -74.53 77.55 1.96 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -138.84 138.56 37.6 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.201 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.82 137.21 49.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.584 0.753 . . . . 0.0 110.725 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -77.65 -9.51 59.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.036 0.535 . . . . 0.0 110.628 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -151.36 132.36 14.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.485 1.114 . . . . 0.0 108.167 167.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.031 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.25 141.86 86.49 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 124.147 0.979 . . . . 0.0 109.328 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.532 ' HA ' HG21 ' A' ' 8' ' ' THR . 53.9 Cg_exo -42.3 -38.38 5.6 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 123.648 2.899 . . . . 0.0 115.31 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -78.29 -14.88 59.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -56.45 138.64 75.41 Favored Pre-proline 0 N--CA 1.481 1.114 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.61 -41.4 71.45 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.825 2.35 . . . . 0.0 112.35 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.532 HG21 ' HA ' ' A' ' 3' ' ' PRO . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HZ3' ' HB3' ' A' ' 18' ' ' LYS . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' O ' HG13 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.584 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HZ3' ' HB3' ' A' ' 48' ' ' LYS . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 60' ' ' ILE . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 HD12 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB3' HG23 ' A' ' 56' ' ' THR . . . -72.58 -25.66 61.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.82 -36.9 83.43 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 167.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.6 -14.16 9.01 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 114.18 0.432 . . . . 0.0 114.18 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.23 -66.89 0.87 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.108 0.963 . . . . 0.0 110.777 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.34 -23.12 21.22 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -63.4 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.365 0.666 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -71.98 79.17 0.91 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -68.02 124.74 24.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.939 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 -55.38 5.46 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -167.74 138.43 2.85 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 109.134 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.33 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.51 150.27 54.41 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 123.836 0.854 . . . . 0.0 109.646 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 65.0 Cg_endo -80.77 25.92 0.61 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.926 2.417 . . . . 0.0 113.906 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.53 -28.29 69.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.291 0.636 . . . . 0.0 111.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.95 137.28 97.06 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 123.332 0.653 . . . . 0.0 110.528 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.48 -50.02 14.85 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.478 2.785 . . . . 0.0 113.3 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 17' ' ' LEU . 94.7 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.649 ' HB3' HG12 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -69.83 -32.13 70.38 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HG3' HD12 ' A' ' 60' ' ' ILE . 43.7 mt-10 -67.84 -39.22 83.89 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 168.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.03 57.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.964 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 72.4 mt -59.26 -31.24 68.91 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.696 0.748 . . . . 0.0 110.128 168.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -73.75 71.55 1.46 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.769 0.828 . . . . 0.0 108.795 168.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -119.48 38.16 3.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.709 1.204 . . . . 0.0 109.59 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.43 -46.45 60.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.171 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -157.51 113.89 2.91 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -86.46 35.19 0.65 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.22 1.008 . . . . 0.0 112.797 -167.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -155.84 139.09 15.65 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.633 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.87 142.88 14.26 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 123.921 0.889 . . . . 0.0 109.124 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.5 6.65 4.65 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.9 2.4 . . . . 0.0 113.175 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.87 -28.56 18.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 110.087 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.41 130.27 91.69 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 123.935 0.894 . . . . 0.0 109.844 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.32 -53.17 7.56 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.551 2.834 . . . . 0.0 113.974 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.61 HD22 HD21 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG13 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 78' ' ' ASP . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD22 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.38 89.37 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.72 -37.68 85.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.862 0.465 . . . . 0.0 109.954 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.65 -10.46 60.81 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 114.691 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.2 -64.88 0.86 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 117.762 0.781 . . . . 0.0 110.875 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 -40.3 27.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -98.89 119.08 37.06 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -58.73 103.82 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 O-C-N 123.453 0.471 . . . . 0.0 111.196 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -64.26 156.23 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.47 0.708 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.7 t60 64.25 64.63 0.71 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -61.69 -41.29 97.37 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.774 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.3 m170 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.115 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.39 160.31 80.03 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.417 0.687 . . . . 0.0 109.538 171.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.73 -6.28 3.22 Favored 'Trans proline' 0 C--N 1.385 2.465 0 C-N-CA 122.778 2.319 . . . . 0.0 114.043 174.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -55.71 -41.42 73.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.369 1.067 . . . . 0.0 111.447 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.418 ' HB2' ' HG1' ' A' ' 8' ' ' THR . 42.4 m-20 -68.83 131.8 90.93 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.692 -179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.68 -56.98 1.86 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 124.396 3.397 . . . . 0.0 114.276 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' A' ' 5' ' ' ASP . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG21 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HG ' ' NE2' ' A' ' 83' ' ' GLN . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.458 ' NE2' ' HG ' ' A' ' 79' ' ' LEU . 49.6 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -62.09 -32.88 73.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.19 -33.04 71.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.957 0.503 . . . . 0.0 110.857 172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.04 -28.25 70.18 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 113.609 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.03 -40.16 84.19 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 117.894 0.847 . . . . 0.0 110.057 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -102.38 23.26 12.06 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.166 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -65.58 -28.24 69.0 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -68.08 129.77 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.011 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -81.77 85.99 6.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.107 0.563 . . . . 0.0 109.997 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.1 p80 41.54 -63.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 128.367 2.667 . . . . 0.0 117.465 171.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.3 m170 81.92 116.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.06 2.144 . . . . 0.0 110.581 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 . . . . . 0 C--O 1.254 1.301 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.502 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.38 134.36 58.7 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 46.2 Cg_exo -58.04 -21.55 51.0 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.063 2.509 . . . . 0.0 112.67 171.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 44.2 mt-10 -58.34 -34.88 71.12 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.737 1.215 . . . . 0.0 112.914 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.98 139.18 94.15 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.364 0.666 . . . . 0.0 111.008 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.8 -49.41 14.66 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 123.303 2.669 . . . . 0.0 113.108 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 HG21 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 HG21 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.691 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.57 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -26.38 68.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.55 -24.36 20.54 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.661 0.784 . . . . 0.0 112.211 169.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.23 72.39 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.555 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.86 -49.7 67.2 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.874 0.837 . . . . 0.0 110.48 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.6 139.27 21.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.604 173.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.33 -175.4 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.232 2.213 . . . . 0.0 107.582 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -80.7 74.59 7.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.4 -16.51 58.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.738 0.815 . . . . 0.0 111.434 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -105.35 39.11 1.8 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.128 0.971 . . . . 0.0 108.815 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -70.22 -170.84 0.4 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.158 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.827 0.851 . . . . 0.0 111.037 179.304 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.489 1.252 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 HD22 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.457 ' HB3' HG11 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 113.685 0.609 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' O ' HG11 ' A' ' 69' ' ' VAL . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.409 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 HG22 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HB3' HD13 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.606 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.545 1.029 0 N-CA-C 113.083 0.378 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' HD21 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HB1' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 56' ' ' THR . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' HD13 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 CA--C 1.543 0.972 0 N-CA-C 114.814 1.044 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.743 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' HD11 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB2' HD13 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.743 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 35' ' ' THR . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 34' ' ' GLU . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.546 1.101 0 N-CA-C 113.683 0.609 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 17' ' ' LEU . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 42.0 m80 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 86.9 m-20 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.674 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.674 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.421 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo . . . . . 0 CA--C 1.543 0.933 0 N-CA-C 114.606 0.964 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 49' ' ' LEU . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG22 HG23 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 60' ' ' ILE . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.515 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 CA--C 1.544 1.011 0 N-CA-C 113.067 0.372 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' HE ' HD23 ' A' ' 32' ' ' LEU . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG22 HG23 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.545 HG23 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG23 HG22 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.459 ' HB3' HG11 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.521 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 17' ' ' LEU . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.48 0.682 0 CA-C-O 119.333 -0.361 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HB2' HD22 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' O ' HG11 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.442 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG23 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.677 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.677 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.551 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo . . . . . 0 N--CA 1.486 1.062 0 CA-C-O 119.065 -0.473 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.573 ' HB3' HG11 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 CA--C 1.546 1.102 0 N-CA-C 114.544 0.94 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HA ' HD12 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.625 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 HD21 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 CA--C 1.545 1.073 0 N-CA-C 113.855 0.675 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.414 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD22 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.581 HG23 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.45 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE3' HG23 ' A' ' 60' ' ' ILE . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 115.028 1.126 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.426 HH21 ' HA ' ' A' ' 32' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 69' ' ' VAL . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD11 ' HB1' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.717 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.717 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 N-CA-C 114.102 0.77 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HB2' HD13 ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HG23 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HE3' HG23 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 82.7 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 N-CA-C 114.727 1.01 . . . . 0.0 114.727 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.618 HG23 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.552 ' HB3' HG11 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.484 ' NZ ' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo . . . . . 0 N--CA 1.475 0.427 0 CA-C-O 119.583 -0.257 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 17' ' ' LEU . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 14' ' ' GLN . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' O ' HG11 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.581 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB1' ' A' ' 89' ' ' ALA . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.476 HG23 HD11 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.581 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 N--CA 1.484 0.937 0 N-CA-C 113.3 0.462 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 17' ' ' LEU . 22.8 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB2' HD13 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.544 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 113.974 0.721 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD21 HD22 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 50' ' ' TYR . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 69' ' ' VAL . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 26' ' ' LEU . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB3' HG11 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 70' ' ' ALA . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 N-CA-C 114.276 0.837 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 35' ' ' THR . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 34' ' ' GLU . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.54 HG23 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 CA-C-O 119.248 -0.397 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.589 HD21 HD22 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 32' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.498 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 HD21 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.47 0.653 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.07 146.07 35.45 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.36 1.064 . . . . 0.0 108.203 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 60.4 Cg_endo -69.76 10.68 0.46 Allowed 'Trans proline' 0 C--N 1.368 1.577 0 C-N-CA 122.643 2.229 . . . . 0.0 113.56 175.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.81 -25.17 17.49 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.59 0.756 . . . . 0.0 110.633 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.64 136.98 96.95 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 123.211 0.605 . . . . 0.0 110.148 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.03 -51.93 9.13 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.773 2.982 . . . . 0.0 113.395 -171.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 HD22 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.457 ' HB3' HG11 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.51 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -63.27 -32.56 74.0 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 6.8 mm-40 -54.65 -30.49 55.37 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.249 1.02 . . . . 0.0 110.925 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.96 -1.93 51.95 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.651 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 71.3 mt -68.17 -67.43 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.047 0.924 . . . . 0.0 109.839 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 95' ' ' HIS . 9.4 pt-20 -77.44 -24.25 50.37 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.041 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.7 t60 58.02 23.12 9.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.076 0.951 . . . . 0.0 110.493 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 45.0 t-80 -122.03 24.36 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.975 1.31 . . . . 0.0 108.323 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -66.07 149.67 49.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.465 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.9 171.01 7.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.539 0.736 . . . . 0.0 110.327 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -86.81 103.2 15.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.376 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.855 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.77 148.05 78.75 Favored Pre-proline 0 N--CA 1.474 0.767 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 64.8 Cg_endo -83.65 2.29 8.4 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 121.913 1.742 . . . . 0.0 113.014 174.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 17.8 mm-40 -63.75 -24.09 67.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.517 0.727 . . . . 0.0 111.744 -173.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 131.5 92.88 Favored Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 123.43 0.692 . . . . 0.0 109.58 168.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.06 -50.95 12.26 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.548 2.832 . . . . 0.0 113.685 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' O ' HG11 ' A' ' 69' ' ' VAL . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.409 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 HG22 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HB3' HD13 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.606 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.19 73.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 94' ' ' HIS . 50.7 mt-10 -65.25 -30.61 71.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.57 0.348 . . . . 0.0 110.562 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.72 59.97 Favored Glycine 0 C--N 1.349 1.295 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.806 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.67 -58.23 3.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.269 0.627 . . . . 0.0 111.033 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -154.73 -22.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 90' ' ' GLU . 47.0 t-80 -79.51 6.79 9.49 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.858 0.361 . . . . 0.0 111.586 -174.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m80 64.82 87.5 0.11 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.048 1.339 . . . . 0.0 109.938 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -66.07 103.47 0.96 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.416 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -70.33 145.32 51.29 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 165.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -63.65 -87.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.299 0.639 . . . . 0.0 111.219 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 C--O 1.245 0.824 0 C-N-CA 125.106 1.362 . . . . 0.0 108.4 177.245 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.015 0.436 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -117.35 164.6 18.51 Favored Pre-proline 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.158 . . . . 0.0 110.141 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -61.91 -18.17 59.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.67 -11.94 59.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.987 0.915 . . . . 0.0 112.619 -175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.31 132.12 95.16 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.245 172.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.84 -39.58 67.78 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.518 2.812 . . . . 0.0 113.083 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' HD21 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HB1' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.475 HD12 ' HG3' ' A' ' 90' ' ' GLU . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' HD13 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -65.63 -37.5 86.75 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG3' HD12 ' A' ' 60' ' ' ILE . 41.4 mt-10 -64.22 -26.68 68.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.277 0.631 . . . . 0.0 110.689 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.81 -6.47 76.21 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.087 -0.841 . . . . 0.0 114.013 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.0 mt -68.0 -59.93 2.89 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.691 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -43.4 6.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.958 0.503 . . . . 0.0 109.898 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 45.37 69.61 0.43 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.629 1.572 . . . . 0.0 111.935 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -59.58 109.78 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.059 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -59.36 112.23 1.67 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.067 0.947 . . . . 0.0 110.494 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -79.77 5.1 14.41 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.249 1.019 . . . . 0.0 112.03 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -116.26 105.77 12.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.251 1.02 . . . . 0.0 109.467 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 124.428 1.091 . . . . 0.0 108.403 175.176 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -115.6 156.2 46.42 Favored Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 124.257 1.023 . . . . 0.0 109.504 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.08 0.63 6.96 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.111 1.874 . . . . 0.0 112.369 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -90.48 -26.65 19.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.677 1.191 . . . . 0.0 110.513 170.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.29 124.42 89.75 Favored Pre-proline 0 N--CA 1.48 1.062 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.024 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.72 -57.3 1.93 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 124.49 3.46 . . . . 0.0 114.814 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.743 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' HD11 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB2' HD13 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.743 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 35' ' ' THR . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 34' ' ' GLU . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.46 66.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 19.3 mm-40 -60.1 -23.51 63.89 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.964 0.506 . . . . 0.0 111.26 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.99 2.48 25.92 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 114.13 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.33 -70.59 0.68 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.062 0.945 . . . . 0.0 109.958 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 5.0 pt-20 -157.45 -54.94 0.08 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 45.9 t60 51.76 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.958 1.303 . . . . 0.0 110.89 -165.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 58.25 38.55 26.13 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.494 0.718 . . . . 0.0 110.262 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -52.75 -49.78 64.8 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.965 0.906 . . . . 0.0 111.94 -173.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.0 t60 58.92 85.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.834 1.254 . . . . 0.0 110.114 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.32 111.36 2.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.835 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -67.42 124.54 89.36 Favored Pre-proline 0 N--CA 1.481 1.09 0 CA-C-O 120.705 0.288 . . . . 0.0 110.774 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -85.88 18.26 1.6 Allowed 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.238 1.959 . . . . 0.0 112.782 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.15 -37.55 38.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.335 0.654 . . . . 0.0 109.439 170.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.1 129.18 93.84 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.203 0.601 . . . . 0.0 110.355 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.58 -49.48 17.34 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.795 2.997 . . . . 0.0 113.683 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 17' ' ' LEU . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 42.0 m80 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 86.9 m-20 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HG3' ' A' ' 90' ' ' GLU . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.674 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.674 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.421 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.62 65.21 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 60' ' ' ILE . 48.6 mt-10 -74.36 -24.37 59.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.771 0.828 . . . . 0.0 110.154 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.0 95.21 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 168.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.57 -39.86 84.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.572 0.749 . . . . 0.0 109.863 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -91.4 7.5 40.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.402 0.681 . . . . 0.0 112.688 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -87.92 69.8 9.45 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -90.86 167.18 12.64 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.492 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -77.97 127.32 32.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.409 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -69.32 163.64 24.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.706 0.403 . . . . 0.0 110.753 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 71.38 -73.68 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.092 1.357 . . . . 0.0 108.465 -163.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 0.0 107.351 173.281 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.96 140.45 90.33 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 124.194 0.998 . . . . 0.0 109.34 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -56.1 -29.87 76.53 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.765 2.31 . . . . 0.0 113.838 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 36.7 mt-10 -80.0 -10.07 59.74 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.157 0.583 . . . . 0.0 112.327 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.95 137.62 96.03 Favored Pre-proline 0 N--CA 1.485 1.278 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.056 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.96 -50.48 10.82 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.735 2.957 . . . . 0.0 114.606 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 49' ' ' LEU . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG22 HG23 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' A' ' 93' ' ' GLU . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.515 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -65.09 -23.26 67.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 9.6 mm-40 -53.17 -28.08 24.61 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 123.689 0.795 . . . . 0.0 111.699 167.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.15 -22.34 78.87 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.907 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 56' ' ' THR . 87.3 mt -76.85 -68.87 0.56 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HG2' ' HB ' ' A' ' 56' ' ' THR . 9.4 pt-20 -132.81 89.59 2.65 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.005 0.907 . . . . 0.0 110.519 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -83.8 -11.85 56.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.225 164.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -80.24 97.65 7.04 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 121.886 0.85 . . . . 0.0 109.623 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.33 139.7 10.88 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -110.31 2.76 19.34 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.547 0.339 . . . . 0.0 111.475 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.71 176.75 8.55 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.41 0.624 . . . . 0.0 110.767 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 161.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 119.986 -0.054 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.46 116.07 65.86 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 73.2 Cg_endo -70.11 -13.8 34.22 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.509 2.139 . . . . 0.0 112.047 176.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.77 -19.57 62.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.252 1.021 . . . . 0.0 112.583 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.23 132.92 90.39 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.802 -0.618 . . . . 0.0 109.72 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.61 -52.04 8.47 Favored 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 123.423 2.749 . . . . 0.0 113.067 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG22 HG23 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.545 HG23 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG23 HG22 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' HB3' HG11 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.521 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.62 -25.4 64.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 60.7 mt-10 -65.81 -29.91 70.47 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.904 0.481 . . . . 0.0 110.31 170.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.563 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -67.71 -26.58 73.75 Favored Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.518 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.33 -32.16 58.53 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.338 0.655 . . . . 0.0 110.13 174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -70.15 -66.39 0.6 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.56 0.744 . . . . 0.0 111.185 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -165.44 117.53 1.14 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 52.1 t-80 -140.57 115.21 9.5 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.729 . . . . 0.0 109.907 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -87.38 -70.92 0.59 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.03 94.84 0.76 Allowed 'General case' 0 C--N 1.349 0.549 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -69.0 -53.63 19.51 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.322 0.649 . . . . 0.0 110.046 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.475 0.179 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.81 139.5 21.89 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.4 Cg_exo -54.85 -4.69 0.37 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.775 2.983 . . . . 0.0 116.546 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.53 -34.84 63.08 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.809 0.444 . . . . 0.0 111.433 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.72 138.03 89.99 Favored Pre-proline 0 N--CA 1.491 1.617 0 C-N-CA 124.023 0.929 . . . . 0.0 111.123 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -54.61 -46.54 32.65 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.405 2.736 . . . . 0.0 112.828 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 17' ' ' LEU . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.81 61.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.74 -28.88 62.91 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.119 0.568 . . . . 0.0 110.503 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.88 -24.37 66.6 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.666 170.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.22 -62.25 1.48 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.176 0.59 . . . . 0.0 110.824 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.6 32.39 0.37 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -74.6 -19.69 60.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.563 -0.711 . . . . 0.0 109.494 167.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.63 80.37 0.28 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.872 0.869 . . . . 0.0 109.533 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -69.19 130.59 43.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.592 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.74 104.94 2.57 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -59.13 129.78 43.77 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.06 0.85 . . . . 0.0 111.643 -173.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 123.688 0.795 . . . . 0.0 109.064 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.389 0.138 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -141.87 152.6 62.74 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 124.306 1.043 . . . . 0.0 110.31 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 58.6 Cg_endo -81.65 4.0 7.37 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.954 2.436 . . . . 0.0 112.781 172.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.05 -27.17 67.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.625 0.77 . . . . 0.0 110.666 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 135.87 94.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 110.347 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -58.97 -52.58 4.85 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 123.197 2.598 . . . . 0.0 112.532 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HB2' HD22 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' O ' HG11 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG23 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.677 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.677 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.551 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.82 76.29 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.57 -35.33 72.21 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.43 -10.55 63.33 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 119.177 -0.791 . . . . 0.0 114.841 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.15 -68.28 0.39 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 118.243 1.021 . . . . 0.0 109.775 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.47 -51.85 13.68 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.721 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -86.84 69.16 10.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -91.73 166.12 12.94 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.692 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.0 107.85 1.09 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.802 0.841 . . . . 0.0 110.96 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -97.56 111.17 23.55 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.741 0.816 . . . . 0.0 109.035 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -158.29 167.57 29.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.514 0.726 . . . . 0.0 110.489 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.2 m80 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 169.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.54 126.1 78.32 Favored Pre-proline 0 C--N 1.351 0.642 0 O-C-N 123.711 0.632 . . . . 0.0 109.347 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -75.99 5.28 4.58 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.179 1.919 . . . . 0.0 111.854 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.33 -9.35 55.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.265 1.026 . . . . 0.0 111.059 170.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.17 128.68 93.98 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.038 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -56.34 -59.74 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.359 2.706 . . . . 0.0 113.044 -171.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.573 ' HB3' HG11 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -72.12 -29.96 64.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 44.3 mt-10 -68.86 -32.94 72.97 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 170.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.617 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -84.62 22.65 8.61 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.441 171.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.7 mt -105.51 -43.64 4.9 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 168.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -110.66 -53.25 2.71 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -68.48 -35.75 77.98 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.137 0.494 . . . . 0.0 109.788 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.617 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 22.6 m170 -116.38 90.11 3.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 168.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -50.98 119.08 3.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.883 0.873 . . . . 0.0 112.031 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -79.53 73.61 6.2 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.431 0.692 . . . . 0.0 110.004 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -137.03 121.86 18.74 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.715 0.806 . . . . 0.0 109.966 -175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 124.477 1.111 . . . . 0.0 108.115 174.786 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.543 0.687 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.99 140.68 21.63 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.671 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.44 -7.17 20.72 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.265 1.976 . . . . 0.0 112.725 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.46 -14.43 43.24 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.242 0.617 . . . . 0.0 111.153 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.73 128.37 85.55 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -47.51 -57.27 2.42 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.826 3.017 . . . . 0.0 114.544 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HA ' HD12 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.625 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 HD21 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 90' ' ' GLU . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.44 65.07 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.554 ' HG3' HD12 ' A' ' 60' ' ' ILE . 49.8 mt-10 -70.52 -29.37 65.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.901 0.88 . . . . 0.0 109.951 171.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.98 -24.04 76.72 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 123.753 0.658 . . . . 0.0 112.899 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.53 -49.31 19.06 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.239 0.616 . . . . 0.0 109.51 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.6 45.68 1.01 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.62 0.768 . . . . 0.0 109.937 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -72.49 138.05 46.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.016 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 98' ' ' HIS . 73.6 t60 -162.86 144.31 10.02 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.29 0.994 . . . . 0.0 108.872 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -79.96 29.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -155.33 28.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.957 1.303 . . . . 0.0 107.969 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 95' ' ' HIS . 53.0 t-80 -151.06 18.92 0.77 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.478 1.111 . . . . 0.0 110.041 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 117.911 -1.043 . . . . 0.0 109.186 -172.456 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.41 155.34 75.4 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 123.548 0.739 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 40.3 Cg_endo -66.19 3.91 1.15 Allowed 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 122.764 2.309 . . . . 0.0 113.651 172.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HA ' HH11 ' A' ' 9' ' ' ARG . 45.0 mm-40 -80.42 -26.91 38.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.393 0.677 . . . . 0.0 111.443 168.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.9 132.65 89.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.033 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -48.69 -55.7 3.86 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.93 3.087 . . . . 0.0 113.855 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD22 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.581 HG23 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.45 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -64.12 -35.88 82.22 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 54.6 mt-10 -58.28 -25.61 62.0 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.901 0.48 . . . . 0.0 111.238 173.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 94' ' ' HIS . . . -82.43 -24.1 54.87 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 119.184 -0.787 . . . . 0.0 113.748 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 96.8 mt -56.27 -43.54 78.89 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.469 0.707 . . . . 0.0 110.909 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.77 66.09 1.52 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.908 0.861 . . . . 0.0 109.77 171.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 57.0 t-80 -79.33 80.72 5.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.422 175.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -99.02 112.33 24.49 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -72.72 144.56 47.62 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -73.83 159.51 32.76 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 122.979 0.512 . . . . 0.0 109.98 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -68.75 -25.94 64.99 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 123.708 0.803 . . . . 0.0 109.132 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.34 132.14 88.03 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.519 0.727 . . . . 0.0 110.27 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.0 2.65 4.62 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.233 1.956 . . . . 0.0 112.019 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.43 -31.24 37.59 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 110.848 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.19 143.3 83.22 Favored Pre-proline 0 N--CA 1.485 1.282 0 C-N-CA 123.817 0.847 . . . . 0.0 111.878 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.2 -64.1 0.23 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 124.084 3.19 . . . . 0.0 115.028 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.426 HH21 ' HA ' ' A' ' 32' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 69' ' ' VAL . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD11 ' HB1' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.717 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.717 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -70.11 -26.67 64.08 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 68.3 mm-40 -61.67 -40.56 95.38 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 167.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.61 -25.75 73.86 Favored Glycine 0 C--N 1.354 1.577 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.676 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 83.9 mt -62.26 -50.45 71.65 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 44.3 mt-10 -95.97 18.65 12.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.685 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.22 102.18 3.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.975 0.51 . . . . 0.0 110.248 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 t60 74.52 3.39 4.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.678 1.591 . . . . 0.0 111.529 -174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.605 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . 49.5 m-70 -92.24 109.02 20.39 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 67.9 24.76 7.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.443 1.097 . . . . 0.0 110.454 -170.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -138.48 140.65 39.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.754 1.222 . . . . 0.0 109.096 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 CA--C 1.559 1.323 0 C-N-CA 123.249 0.62 . . . . 0.0 110.152 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -124.15 154.85 68.47 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 109.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.2 Cg_exo -54.84 -10.02 2.31 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.281 2.654 . . . . 0.0 114.218 170.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.33 -40.65 93.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 170.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.0 134.97 96.22 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.75 0.82 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.94 -57.22 2.19 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 124.351 3.367 . . . . 0.0 114.102 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HB2' HD13 ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HG23 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HE3' HG23 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.77 -32.44 69.29 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.98 -26.86 4.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.17 0.988 . . . . 0.0 112.962 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.54 18.32 57.3 Favored Glycine 0 C--N 1.348 1.195 0 CA-C-O 119.789 -0.451 . . . . 0.0 114.166 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -91.87 -80.57 0.35 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 117.453 0.626 . . . . 0.0 111.773 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.85 -46.67 88.54 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.276 0.63 . . . . 0.0 111.578 -170.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -149.27 128.7 13.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.699 1.2 . . . . 0.0 108.17 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -72.36 99.11 2.36 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 168.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -44.35 96.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.267 1.427 . . . . 0.0 113.322 -163.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -114.89 96.19 5.59 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.837 -1.529 . . . . 0.0 107.047 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.33 93.97 8.36 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.383 173.586 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -79.78 151.33 73.74 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.451 0.701 . . . . 0.0 110.313 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.82 5.76 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.749 2.299 . . . . 0.0 113.903 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.54 -32.86 36.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.335 1.054 . . . . 0.0 110.605 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.83 126.38 92.29 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.87 0.868 . . . . 0.0 109.641 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 82.7 Cg_exo -49.09 -54.44 5.45 Favored 'Trans proline' 0 C--N 1.385 2.495 0 C-N-CA 124.065 3.177 . . . . 0.0 114.727 -170.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.618 HG23 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.552 ' HB3' HG11 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.484 ' NZ ' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.68 75.01 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.99 -24.29 67.47 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.681 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.19 -28.81 57.6 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-O 119.052 -0.86 . . . . 0.0 113.694 171.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.65 -45.27 77.7 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 117.865 0.832 . . . . 0.0 110.081 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -132.63 98.84 4.45 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -74.53 77.55 1.96 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -138.84 138.56 37.6 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.201 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.82 137.21 49.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.584 0.753 . . . . 0.0 110.725 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -77.65 -9.51 59.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.036 0.535 . . . . 0.0 110.628 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -151.36 132.36 14.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.485 1.114 . . . . 0.0 108.167 167.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.031 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.25 141.86 86.49 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 124.147 0.979 . . . . 0.0 109.328 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.559 ' HA ' HG21 ' A' ' 8' ' ' THR . 53.9 Cg_exo -42.3 -38.38 5.6 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 123.648 2.899 . . . . 0.0 115.31 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -78.29 -14.88 59.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -56.45 138.64 75.41 Favored Pre-proline 0 N--CA 1.481 1.114 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.61 -41.4 71.45 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.825 2.35 . . . . 0.0 112.35 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.559 HG21 ' HA ' ' A' ' 3' ' ' PRO . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 17' ' ' LEU . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 14' ' ' GLN . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' O ' HG11 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.581 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB1' ' A' ' 89' ' ' ALA . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.476 HG23 HD11 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.581 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -72.58 -25.66 61.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.82 -36.9 83.43 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 167.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.6 -14.16 9.01 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 114.18 0.432 . . . . 0.0 114.18 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.23 -66.89 0.87 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.108 0.963 . . . . 0.0 110.777 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.34 -23.12 21.22 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -63.4 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.365 0.666 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -71.98 79.17 0.91 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -68.02 124.74 24.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.939 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 -55.38 5.46 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -167.74 138.43 2.85 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 109.134 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.33 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.51 150.27 54.41 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 123.836 0.854 . . . . 0.0 109.646 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 65.0 Cg_endo -80.77 25.92 0.61 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.926 2.417 . . . . 0.0 113.906 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.53 -28.29 69.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.291 0.636 . . . . 0.0 111.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.95 137.28 97.06 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 123.332 0.653 . . . . 0.0 110.528 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.48 -50.02 14.85 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.478 2.785 . . . . 0.0 113.3 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 17' ' ' LEU . 22.8 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB2' HD13 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.544 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.523 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -69.83 -32.13 70.38 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 60' ' ' ILE . 43.7 mt-10 -67.84 -39.22 83.89 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 168.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.03 57.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.964 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 72.4 mt -59.26 -31.24 68.91 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.696 0.748 . . . . 0.0 110.128 168.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -73.75 71.55 1.46 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.769 0.828 . . . . 0.0 108.795 168.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -119.48 38.16 3.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.709 1.204 . . . . 0.0 109.59 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.43 -46.45 60.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.171 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -157.51 113.89 2.91 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -86.46 35.19 0.65 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.22 1.008 . . . . 0.0 112.797 -167.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -155.84 139.09 15.65 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.633 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.87 142.88 14.26 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 123.921 0.889 . . . . 0.0 109.124 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.5 6.65 4.65 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.9 2.4 . . . . 0.0 113.175 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.87 -28.56 18.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 110.087 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.41 130.27 91.69 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 123.935 0.894 . . . . 0.0 109.844 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.32 -53.17 7.56 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.551 2.834 . . . . 0.0 113.974 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD21 HD22 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 50' ' ' TYR . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 69' ' ' VAL . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 26' ' ' LEU . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB3' HG11 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 70' ' ' ALA . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.38 89.37 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HG3' HD12 ' A' ' 60' ' ' ILE . 42.8 mt-10 -61.72 -37.68 85.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.862 0.465 . . . . 0.0 109.954 174.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.65 -10.46 60.81 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 114.691 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.2 -64.88 0.86 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 117.762 0.781 . . . . 0.0 110.875 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 -40.3 27.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -98.89 119.08 37.06 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -58.73 103.82 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 O-C-N 123.453 0.471 . . . . 0.0 111.196 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -64.26 156.23 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.47 0.708 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.7 t60 64.25 64.63 0.71 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -61.69 -41.29 97.37 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.774 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.3 m170 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.115 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.39 160.31 80.03 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.417 0.687 . . . . 0.0 109.538 171.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.73 -6.28 3.22 Favored 'Trans proline' 0 C--N 1.385 2.465 0 C-N-CA 122.778 2.319 . . . . 0.0 114.043 174.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -55.71 -41.42 73.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.369 1.067 . . . . 0.0 111.447 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -68.83 131.8 90.93 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.692 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.68 -56.98 1.86 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 124.396 3.397 . . . . 0.0 114.276 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 35' ' ' THR . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 34' ' ' GLU . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.54 HG23 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -62.09 -32.88 73.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.19 -33.04 71.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.957 0.503 . . . . 0.0 110.857 172.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.04 -28.25 70.18 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 113.609 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.03 -40.16 84.19 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 117.894 0.847 . . . . 0.0 110.057 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -102.38 23.26 12.06 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.166 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -65.58 -28.24 69.0 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -68.08 129.77 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.011 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -81.77 85.99 6.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.107 0.563 . . . . 0.0 109.997 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.1 p80 41.54 -63.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 128.367 2.667 . . . . 0.0 117.465 171.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.3 m170 81.92 116.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.06 2.144 . . . . 0.0 110.581 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 . . . . . 0 C--O 1.254 1.301 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.502 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.38 134.36 58.7 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 46.2 Cg_exo -58.04 -21.55 51.0 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.063 2.509 . . . . 0.0 112.67 171.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 44.2 mt-10 -58.34 -34.88 71.12 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.737 1.215 . . . . 0.0 112.914 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.98 139.18 94.15 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.364 0.666 . . . . 0.0 111.008 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.8 -49.41 14.66 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 123.303 2.669 . . . . 0.0 113.108 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.589 HD21 HD22 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 32' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.498 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 HD21 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -26.38 68.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.55 -24.36 20.54 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.661 0.784 . . . . 0.0 112.211 169.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.23 72.39 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.555 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.86 -49.7 67.2 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.874 0.837 . . . . 0.0 110.48 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.6 139.27 21.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.604 173.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.33 -175.4 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.232 2.213 . . . . 0.0 107.582 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -80.7 74.59 7.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.4 -16.51 58.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.738 0.815 . . . . 0.0 111.434 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -105.35 39.11 1.8 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.128 0.971 . . . . 0.0 108.815 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -70.22 -170.84 0.4 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.158 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.827 0.851 . . . . 0.0 111.037 179.304 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.489 1.252 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 HD22 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.457 ' HB3' HG11 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 113.685 0.609 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 12' ' ' LEU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' O ' HG11 ' A' ' 69' ' ' VAL . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.409 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 HG22 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HB3' HD13 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.409 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.606 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.545 1.029 0 N-CA-C 113.083 0.378 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' HD21 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HB1' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 56' ' ' THR . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' HD13 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 CA--C 1.543 0.972 0 N-CA-C 114.814 1.044 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.743 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' HD11 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB2' HD13 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.743 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 35' ' ' THR . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 34' ' ' GLU . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.546 1.101 0 N-CA-C 113.683 0.609 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 17' ' ' LEU . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 92.1 m-70 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 14.6 m120 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.674 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.674 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.421 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo . . . . . 0 CA--C 1.543 0.933 0 N-CA-C 114.606 0.964 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 49' ' ' LEU . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG22 HG23 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 60' ' ' ILE . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.515 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 CA--C 1.544 1.011 0 N-CA-C 113.067 0.372 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' HE ' HD23 ' A' ' 32' ' ' LEU . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG22 HG23 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.545 HG23 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG23 HG22 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.459 ' HB3' HG11 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.521 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 17' ' ' LEU . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' NE2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD23 ' NE2' ' A' ' 76' ' ' GLN . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo . . . . . 0 N--CA 1.48 0.682 0 CA-C-O 119.333 -0.361 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HB2' HD22 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' O ' HG11 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.442 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG23 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.677 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.677 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.551 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo . . . . . 0 N--CA 1.486 1.062 0 CA-C-O 119.065 -0.473 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.573 ' HB3' HG11 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 CA--C 1.546 1.102 0 N-CA-C 114.544 0.94 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HA ' HD12 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.625 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 HD21 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 CA--C 1.545 1.073 0 N-CA-C 113.855 0.675 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.414 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD22 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.581 HG23 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.45 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.426 ' HA ' HE21 ' A' ' 83' ' ' GLN . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' A' ' 80' ' ' SER . 23.4 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE3' HG23 ' A' ' 60' ' ' ILE . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 115.028 1.126 . . . . 0.0 115.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.426 HH21 ' HA ' ' A' ' 32' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 69' ' ' VAL . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD11 ' HB1' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.717 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.717 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 N-CA-C 114.102 0.77 . . . . 0.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HB2' HD13 ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HG23 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HE3' HG23 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 82.7 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 N-CA-C 114.727 1.01 . . . . 0.0 114.727 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.618 HG23 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.552 ' HB3' HG11 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.484 ' NZ ' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo . . . . . 0 N--CA 1.475 0.427 0 CA-C-O 119.583 -0.257 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 17' ' ' LEU . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 14' ' ' GLN . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' O ' HG11 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.581 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB1' ' A' ' 89' ' ' ALA . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.476 HG23 HD11 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.581 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 N--CA 1.484 0.937 0 N-CA-C 113.3 0.462 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 17' ' ' LEU . 94.7 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB2' HD13 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.544 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.542 0.877 0 N-CA-C 113.974 0.721 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD21 HD22 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 50' ' ' TYR . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 69' ' ' VAL . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 26' ' ' LEU . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB3' HG11 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 70' ' ' ALA . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 N-CA-C 114.276 0.837 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 35' ' ' THR . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 34' ' ' GLU . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.54 HG23 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HG ' ' NE2' ' A' ' 83' ' ' GLN . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' NE2' ' HG ' ' A' ' 79' ' ' LEU . 49.6 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 56' ' ' THR . . . . . . . . 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 CA--C 1.54 0.821 0 CA-C-O 119.248 -0.397 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.589 HD21 HD22 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 32' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.498 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 HD21 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.47 0.653 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.07 146.07 35.45 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.36 1.064 . . . . 0.0 108.203 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 60.4 Cg_endo -69.76 10.68 0.46 Allowed 'Trans proline' 0 C--N 1.368 1.577 0 C-N-CA 122.643 2.229 . . . . 0.0 113.56 175.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.81 -25.17 17.49 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.59 0.756 . . . . 0.0 110.633 171.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.64 136.98 96.95 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 123.211 0.605 . . . . 0.0 110.148 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.03 -51.93 9.13 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.773 2.982 . . . . 0.0 113.395 -171.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -66.05 -35.65 81.1 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 123.496 0.497 . . . . 0.0 111.939 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -67.65 -47.97 68.04 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.438 0.295 . . . . 0.0 110.983 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 6.1 ptm180 -74.46 -26.96 60.37 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.552 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.04 -50.86 66.74 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.188 0.995 . . . . 0.0 109.778 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -64.52 -36.12 83.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.509 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -70.28 -34.5 72.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.951 0.901 . . . . 0.0 110.483 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.27 88.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.222 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -61.86 -37.44 84.51 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.093 172.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.4 mm-40 -67.26 -39.34 86.1 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.825 0.45 . . . . 0.0 111.187 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.25 -39.07 88.99 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.279 0.631 . . . . 0.0 110.772 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 HD22 ' A' ' 49' ' ' LEU . 98.4 mt -58.36 -44.16 88.7 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.211 0.604 . . . . 0.0 110.46 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -69.54 -29.52 67.13 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.278 1.031 . . . . 0.0 111.54 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -88.61 9.07 25.35 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.245 0.618 . . . . 0.0 112.27 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 69.64 6.44 5.72 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.605 1.162 . . . . 0.0 111.798 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -86.99 55.45 3.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.357 1.063 . . . . 0.0 109.489 173.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.26 -33.63 72.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.226 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -59.81 -41.93 92.36 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.17 0.988 . . . . 0.0 112.304 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -73.04 -37.57 66.82 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.805 0.442 . . . . 0.0 110.069 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.73 78.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.852 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.06 -52.23 63.6 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.419 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.79 77.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 124.336 1.023 . . . . 0.0 112.132 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.58 -50.33 74.32 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.023 0.529 . . . . 0.0 111.88 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 26.1 m-85 -68.18 -42.96 79.18 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 123.519 0.512 . . . . 0.0 111.21 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.51 -36.99 79.69 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.184 0.594 . . . . 0.0 111.71 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -40.64 72.78 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.06 -35.86 67.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.785 0.834 . . . . 0.0 111.565 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.09 -57.3 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.84 0.456 . . . . 0.0 110.973 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.53 -34.45 77.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -172.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -87.3 -42.73 12.69 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 123.17 0.588 . . . . 0.0 110.946 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -127.44 78.04 75.12 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 123.577 0.751 . . . . 0.0 109.133 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG11 ' A' ' 69' ' ' VAL . 10.3 Cg_exo -67.13 -15.59 46.84 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.033 1.822 . . . . 0.0 111.77 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.15 -39.62 82.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.75 1.22 . . . . 0.0 111.819 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.4 98.96 0.89 Allowed 'General case' 0 C--N 1.358 0.971 0 CA-C-O 121.622 0.725 . . . . 0.0 110.709 -173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 69' ' ' VAL . 17.7 t -69.2 -32.84 55.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.891 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.15 66.15 Favored Glycine 0 C--N 1.358 1.791 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.845 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -59.24 -52.57 65.11 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.268 0.627 . . . . 0.0 111.857 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -56.96 -43.97 82.13 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.911 0.884 . . . . 0.0 112.987 -167.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -54.57 -61.93 1.99 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.93 0.769 . . . . 0.0 111.091 173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -65.62 -31.17 72.05 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.856 0.862 . . . . 0.0 112.9 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 38.1 tp -72.44 -40.18 67.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.03 0.532 . . . . 0.0 110.01 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.82 -37.9 84.59 Favored Glycine 0 C--N 1.344 1.012 0 O-C-N 123.728 0.643 . . . . 0.0 111.764 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.7 mmmp? -62.72 -40.92 98.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 17' ' ' LEU . 21.6 tp -66.91 -39.34 87.36 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.093 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.81 -46.97 83.9 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.124 0.57 . . . . 0.0 111.144 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.69 -37.24 73.13 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.186 0.594 . . . . 0.0 111.268 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 30.0 mtp180 -62.72 -41.17 99.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.628 0.771 . . . . 0.0 110.78 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.47 13.33 10.26 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.887 0.875 . . . . 0.0 112.324 -175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 62.14 18.19 9.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 124.414 1.086 . . . . 0.0 112.368 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -94.77 47.24 1.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.698 1.199 . . . . 0.0 109.061 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' HG12 ' A' ' 60' ' ' ILE . 88.3 m -61.2 -34.16 74.63 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.325 1.05 . . . . 0.0 112.2 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.22 -41.27 90.34 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.179 0.514 . . . . 0.0 110.694 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.03 -36.03 83.05 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.581 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.48 86.17 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.067 0.854 . . . . 0.0 110.792 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 56' ' ' THR . 41.5 mm -55.17 -43.19 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.986 0.914 . . . . 0.0 110.918 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.61 -45.37 87.17 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 m -65.96 -40.26 91.13 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.053 0.941 . . . . 0.0 111.748 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.3 m-85 -66.57 -42.38 87.14 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 122.925 0.49 . . . . 0.0 110.636 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.59 94.64 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.888 0.875 . . . . 0.0 111.904 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.51 -40.52 97.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.05 0.54 . . . . 0.0 110.226 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.7 -41.38 98.96 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 114.767 -1.106 . . . . 0.0 113.006 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 74.9 mt -57.66 -45.48 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.494 1.118 . . . . 0.0 111.258 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.56 -46.95 87.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.664 0.785 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -81.51 -19.66 11.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.675 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.05 -47.83 34.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.994 0.518 . . . . 0.0 111.58 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 15.6 ptm180 -69.52 -35.32 75.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.702 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -90.13 -54.52 3.99 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.44 -42.84 9.05 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.351 0.66 . . . . 0.0 112.434 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.54 -150.0 7.44 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 p -119.17 176.06 5.49 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 117.351 0.576 . . . . 0.0 111.242 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.69 -29.89 68.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.877 0.871 . . . . 0.0 111.123 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -54.89 -50.65 68.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.631 0.772 . . . . 0.0 110.912 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.457 ' HB3' HG11 ' A' ' 40' ' ' VAL . 12.3 m-20 -64.45 -46.91 81.07 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.874 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.0 tp -57.33 -51.43 69.43 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.393 1.058 . . . . 0.0 111.212 -174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -62.36 -40.6 96.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.741 0.816 . . . . 0.0 111.516 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.32 -39.76 89.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.03 0.532 . . . . 0.0 112.423 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.74 -39.12 64.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.172 0.589 . . . . 0.0 111.705 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.62 -36.71 83.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.009 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.05 -45.47 67.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.645 0.778 . . . . 0.0 111.075 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -68.56 -35.25 77.15 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.452 -173.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 20.3 ptmt -72.94 -39.04 66.56 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.917 173.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.61 -31.95 73.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 119.683 1.129 . . . . 0.0 111.654 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 18.9 pttp -73.87 -37.16 64.84 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 123.27 0.356 . . . . 0.0 110.708 172.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.51 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -63.27 -32.56 74.0 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.848 0.459 . . . . 0.0 112.199 176.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 6.8 mm-40 -54.65 -30.49 55.37 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.249 1.02 . . . . 0.0 110.925 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.96 -1.93 51.95 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 119.105 -0.831 . . . . 0.0 114.651 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 71.3 mt -68.17 -67.43 0.46 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.047 0.924 . . . . 0.0 109.839 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 95' ' ' HIS . 9.4 pt-20 -77.44 -24.25 50.37 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.041 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.7 t60 58.02 23.12 9.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.076 0.951 . . . . 0.0 110.493 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 45.0 t-80 -122.03 24.36 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.975 1.31 . . . . 0.0 108.323 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -66.07 149.67 49.9 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.465 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.9 171.01 7.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.539 0.736 . . . . 0.0 110.327 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -86.81 103.2 15.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.376 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.77 148.05 78.75 Favored Pre-proline 0 N--CA 1.474 0.767 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 64.8 Cg_endo -83.65 2.29 8.4 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 121.913 1.742 . . . . 0.0 113.014 174.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 17.8 mm-40 -63.75 -24.09 67.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.517 0.727 . . . . 0.0 111.744 -173.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 131.5 92.88 Favored Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 123.43 0.692 . . . . 0.0 109.58 168.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.06 -50.95 12.26 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.548 2.832 . . . . 0.0 113.685 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.71 -33.09 75.06 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.019 0.528 . . . . 0.0 112.058 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.6 m -67.67 -48.75 65.74 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 123.139 0.274 . . . . 0.0 110.782 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 8.7 ptm85 -74.71 -24.36 58.74 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.997 0.519 . . . . 0.0 111.561 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.67 -53.33 58.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.839 0.856 . . . . 0.0 110.978 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.17 -31.54 69.07 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.469 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 56.1 tp -71.0 -33.25 70.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.814 0.846 . . . . 0.0 110.537 176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.03 97.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 17' ' ' LEU . 44.8 mt-30 -68.63 -26.78 65.52 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.659 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -67.98 -46.55 71.03 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -57.25 -39.2 75.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.805 0.842 . . . . 0.0 111.118 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 14' ' ' GLN . 88.6 mt -55.14 -53.46 55.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.6 0.76 . . . . 0.0 111.077 175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.43 -27.24 66.89 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.143 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -92.01 20.2 6.03 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.935 0.894 . . . . 0.0 111.503 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t70 78.11 -15.4 0.76 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.371 1.468 . . . . 0.0 113.394 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -78.61 70.76 5.01 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.795 0.838 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -69.89 -34.0 72.96 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 123.045 0.538 . . . . 0.0 109.96 176.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -57.85 -48.44 79.8 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.667 1.187 . . . . 0.0 112.447 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.75 -36.85 76.17 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.566 0.747 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.45 85.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.536 0.734 . . . . 0.0 110.598 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 50' ' ' TYR . 25.7 tp -63.62 -49.61 72.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.05 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.19 -46.7 82.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.253 1.021 . . . . 0.0 112.015 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.44 -42.81 99.34 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.257 0.623 . . . . 0.0 112.0 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 20.9 m-85 -68.86 -47.77 65.08 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 122.91 0.484 . . . . 0.0 111.316 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.68 -31.66 68.4 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.753 0.821 . . . . 0.0 111.163 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG22 ' A' ' 35' ' ' THR . 42.5 tt0 -71.84 -46.55 57.64 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.664 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.78 -35.42 68.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.703 0.801 . . . . 0.0 111.577 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.25 -58.15 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 123.829 0.706 . . . . 0.0 110.613 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.4 pt-20 -65.1 -29.92 70.82 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 31' ' ' GLU . 9.1 t -92.2 -38.53 12.07 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.528 0.331 . . . . 0.0 111.083 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.29 78.81 73.79 Favored Pre-proline 0 N--CA 1.483 1.213 0 C-N-CA 123.882 0.873 . . . . 0.0 108.866 -174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' O ' HG11 ' A' ' 69' ' ' VAL . 16.3 Cg_exo -67.53 -13.9 40.56 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 123.15 2.567 . . . . 0.0 113.282 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -82.28 -21.68 36.07 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.12 0.968 . . . . 0.0 110.855 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.9 t80 -67.46 88.96 0.22 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.412 0.685 . . . . 0.0 109.921 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 69' ' ' VAL . 55.2 t -65.28 -35.24 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.904 0.881 . . . . 0.0 111.747 -174.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.15 -30.2 70.07 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 113.303 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.409 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 87.9 m -62.11 -50.04 73.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.024 0.529 . . . . 0.0 111.199 174.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -58.93 -43.04 91.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.408 0.683 . . . . 0.0 112.611 -171.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 57.3 t80 -55.8 -63.5 1.15 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.063 0.227 . . . . 0.0 111.147 173.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -62.36 -37.05 84.21 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.019 0.928 . . . . 0.0 112.415 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 37.2 tp -64.07 -41.34 97.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.894 0.878 . . . . 0.0 110.176 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.03 -33.72 62.27 Favored Glycine 0 C--N 1.346 1.139 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.274 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.8 tp -67.7 -35.87 79.59 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.962 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 26' ' ' LEU . 14.3 m-85 -65.34 -35.94 82.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 122.748 0.419 . . . . 0.0 111.418 171.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.03 -23.76 65.93 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.501 0.32 . . . . 0.0 111.362 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -82.05 -40.78 21.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.689 0.795 . . . . 0.0 111.474 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.69 15.89 8.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.651 0.78 . . . . 0.0 112.63 -174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 58.89 19.81 7.43 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.459 1.104 . . . . 0.0 112.634 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -93.66 49.44 1.36 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.445 1.098 . . . . 0.0 109.315 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.1 m -57.41 -39.78 76.9 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.851 0.86 . . . . 0.0 111.964 -174.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -61.57 -41.82 97.95 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 110.575 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.08 -35.8 78.77 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.035 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.73 72.67 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 123.775 0.83 . . . . 0.0 110.948 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 56' ' ' THR . 23.6 mm -59.32 -40.32 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 O-C-N 123.975 0.797 . . . . 0.0 110.55 -176.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.35 -40.1 85.8 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.171 0.988 . . . . 0.0 111.233 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -67.24 -42.86 83.25 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.981 0.913 . . . . 0.0 111.132 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.1 m-85 -67.11 -40.43 86.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.208 0.603 . . . . 0.0 110.598 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.3 65.85 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.126 0.971 . . . . 0.0 111.694 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -39.2 76.54 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.85 0.86 . . . . 0.0 108.789 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.85 99.59 Favored Glycine 0 C--O 1.212 -1.262 0 CA-C-N 114.292 -1.322 . . . . 0.0 113.529 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.7 mt -58.67 -40.43 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.292 1.037 . . . . 0.0 110.692 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.34 -49.27 77.66 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.915 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 HG22 ' A' ' 40' ' ' VAL . 12.4 m -81.34 -20.14 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.595 -176.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.15 57.51 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.68 0.792 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HB3' HD13 ' A' ' 79' ' ' LEU . 11.6 ptm180 -72.89 -32.12 65.15 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.374 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -88.15 -56.19 3.43 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -95.73 -39.33 9.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.732 0.813 . . . . 0.0 111.659 -171.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.61 -167.47 43.58 Favored Glycine 0 C--N 1.349 1.255 0 N-CA-C 112.64 -0.184 . . . . 0.0 112.64 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 p -90.04 171.92 9.2 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.062 0.545 . . . . 0.0 110.93 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.409 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.64 -28.19 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.522 176.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 59.0 tttp -60.79 -49.85 75.84 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.434 0.694 . . . . 0.0 110.161 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.606 ' HB3' HG11 ' A' ' 40' ' ' VAL . 76.7 m-20 -60.22 -40.93 91.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.826 0.85 . . . . 0.0 110.451 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ARG . 56.4 tp -58.11 -50.95 71.71 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.408 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -61.83 -37.07 83.09 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.751 0.82 . . . . 0.0 111.853 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 13.8 mm-40 -72.32 -39.58 68.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.06 0.544 . . . . 0.0 112.095 -175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.03 -31.4 62.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.742 0.417 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.11 -42.75 79.79 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.185 0.594 . . . . 0.0 109.87 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.77 -44.38 96.33 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -37.46 77.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.177 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 14.4 ptmm? -69.35 -42.48 75.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.799 -0.62 . . . . 0.0 112.013 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.17 -35.52 78.16 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.555 0.616 . . . . 0.0 111.59 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.98 -41.79 73.96 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.398 0.279 . . . . 0.0 110.308 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.19 73.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.799 0.44 . . . . 0.0 111.293 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 94' ' ' HIS . 50.7 mt-10 -65.25 -30.61 71.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.57 0.348 . . . . 0.0 110.562 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.72 59.97 Favored Glycine 0 C--N 1.349 1.295 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.806 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.67 -58.23 3.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.269 0.627 . . . . 0.0 111.033 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -154.73 -22.0 0.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 90' ' ' GLU . 47.0 t-80 -79.51 6.79 9.49 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.858 0.361 . . . . 0.0 111.586 -174.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.5 m80 64.82 87.5 0.11 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.048 1.339 . . . . 0.0 109.938 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -66.07 103.47 0.96 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.416 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -70.33 145.32 51.29 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 165.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -63.65 -87.03 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.299 0.639 . . . . 0.0 111.219 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 C--O 1.245 0.824 0 C-N-CA 125.106 1.362 . . . . 0.0 108.4 177.245 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 121.015 0.436 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -117.35 164.6 18.51 Favored Pre-proline 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.158 . . . . 0.0 110.141 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -61.91 -18.17 59.64 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.67 -11.94 59.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.987 0.915 . . . . 0.0 112.619 -175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.31 132.12 95.16 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.245 172.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.84 -39.58 67.78 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.518 2.812 . . . . 0.0 113.083 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -63.42 -42.99 98.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.223 0.609 . . . . 0.0 112.134 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 m -69.08 -48.41 62.77 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.64 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' HD21 ' A' ' 32' ' ' LEU . 7.5 ptm85 -74.23 -24.1 59.27 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.648 0.779 . . . . 0.0 112.051 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.52 -51.2 70.87 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.166 0.586 . . . . 0.0 110.431 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -63.01 -37.24 86.39 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.77 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 49.3 tp -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.274 1.03 . . . . 0.0 110.72 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.69 88.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.364 0.666 . . . . 0.0 110.609 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.58 -36.63 84.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.193 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 23.0 mm-40 -67.25 -38.32 84.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.431 0.292 . . . . 0.0 110.808 176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -62.98 -39.68 95.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.56 0.344 . . . . 0.0 110.787 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 49' ' ' LEU . 85.7 mt -58.54 -50.71 72.78 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.924 0.489 . . . . 0.0 111.648 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.17 -16.65 61.43 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -95.02 11.14 33.04 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.361 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.3 t70 70.81 4.15 4.9 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.83 1.252 . . . . 0.0 112.778 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.25 58.39 5.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.094 0.957 . . . . 0.0 110.258 174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.77 -36.33 83.23 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.988 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 m -61.51 -39.76 92.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.369 0.668 . . . . 0.0 112.271 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -76.04 -33.15 59.62 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 120.916 0.389 . . . . 0.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.16 86.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.696 0.798 . . . . 0.0 110.613 172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.36 -54.0 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.454 1.096 . . . . 0.0 108.956 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.02 72.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.507 1.123 . . . . 0.0 112.674 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.07 -47.47 79.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.539 . . . . 0.0 112.024 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 30.6 m-85 -65.83 -47.26 75.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 122.849 0.46 . . . . 0.0 111.141 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -57.84 -37.91 74.71 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.835 0.854 . . . . 0.0 111.126 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -64.16 -44.1 93.16 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.489 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 ' HG3' ' A' ' 9' ' ' ARG . 85.4 mt -59.65 -40.68 88.47 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.408 0.683 . . . . 0.0 111.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.21 -57.37 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.485 0.714 . . . . 0.0 111.429 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.11 -36.06 81.11 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.9 p -83.37 -39.32 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.726 0.411 . . . . 0.0 111.376 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -135.21 93.89 16.38 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.307 0.643 . . . . 0.0 109.278 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.93 -16.08 44.78 Favored 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.382 2.055 . . . . 0.0 113.694 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.26 -27.8 42.35 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.388 0.675 . . . . 0.0 112.003 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.27 92.41 0.41 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.985 0.514 . . . . 0.0 110.797 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 69' ' ' VAL . 44.7 t -64.76 -34.48 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.955 0.902 . . . . 0.0 111.681 -176.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.54 63.89 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.864 0.727 . . . . 0.0 113.856 -176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -59.22 -51.4 70.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.714 0.806 . . . . 0.0 111.761 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.03 -44.92 91.82 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.27 0.981 . . . . 0.0 113.082 -167.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -55.98 -57.07 13.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.475 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -71.01 -28.66 64.58 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.301 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 43.1 tp -75.91 -39.1 56.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.406 0.682 . . . . 0.0 110.147 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.39 89.08 Favored Glycine 0 C--N 1.344 0.985 0 O-C-N 123.667 0.604 . . . . 0.0 111.613 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 71.6 mmtt -57.7 -44.36 85.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 0.0 110.367 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HB1' ' A' ' 22' ' ' ALA . 16.7 tp -64.3 -40.9 96.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.939 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -57.18 -47.39 81.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.19 0.596 . . . . 0.0 111.544 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.65 -31.02 71.81 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.834 0.454 . . . . 0.0 112.053 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 84.9 mtt180 -65.27 -41.36 94.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.395 0.678 . . . . 0.0 110.482 173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -89.68 17.69 6.25 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.187 0.995 . . . . 0.0 111.81 -174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 68.47 6.07 5.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.277 1.431 . . . . 0.0 112.702 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -88.24 52.08 2.36 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 110.196 -176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' ILE . 26.6 m -61.63 -36.13 79.9 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.009 0.923 . . . . 0.0 111.682 -174.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.95 -42.8 89.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.191 0.597 . . . . 0.0 111.075 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.2 -37.29 84.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.826 0.851 . . . . 0.0 110.074 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.099 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.475 HD12 ' HG3' ' A' ' 90' ' ' GLU . 38.1 mm -54.08 -48.23 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 123.562 0.745 . . . . 0.0 111.582 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.8 -42.15 77.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.712 0.632 . . . . 0.0 110.702 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -65.86 -37.56 86.51 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.41 0.684 . . . . 0.0 111.631 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' ILE . 14.5 m-85 -68.84 -41.96 77.8 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 123.027 0.531 . . . . 0.0 110.07 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.87 -42.79 98.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.975 0.91 . . . . 0.0 111.879 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -60.95 -40.59 93.91 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.868 0.867 . . . . 0.0 109.927 175.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.97 -48.85 83.79 Favored Glycine 0 C--O 1.203 -1.79 0 CA-C-N 114.028 -1.442 . . . . 0.0 112.525 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 63' ' ' TYR . 82.1 mt -54.45 -45.27 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.739 1.215 . . . . 0.0 111.919 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 34.2 mt-10 -62.18 -44.97 95.4 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.513 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -84.05 -18.87 9.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.506 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.14 -43.88 60.91 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.527 0.731 . . . . 0.0 111.651 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' HD13 ' A' ' 79' ' ' LEU . 42.2 ptt85 -63.42 -35.78 81.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.439 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.25 -54.95 3.87 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -81.63 -42.77 19.54 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.996 0.918 . . . . 0.0 111.132 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.85 -164.88 30.24 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.5 p -92.57 178.45 5.8 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 122.878 0.471 . . . . 0.0 110.424 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -63.51 -21.72 66.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.529 0.732 . . . . 0.0 110.843 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -63.08 -49.16 75.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 111.165 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.4 m-20 -56.07 -48.45 76.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.053 0.941 . . . . 0.0 109.781 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 71' ' ' ARG . 60.1 tp -54.42 -48.04 72.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.134 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -64.92 -41.67 95.35 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.293 1.037 . . . . 0.0 111.855 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.48 0.712 . . . . 0.0 111.603 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.37 -34.72 65.73 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.029 0.532 . . . . 0.0 111.562 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -64.0 -49.66 71.57 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.484 0.714 . . . . 0.0 110.366 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -56.93 -44.12 82.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.619 1.168 . . . . 0.0 110.912 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.24 -45.4 73.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.264 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.75 -40.41 79.83 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.604 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.12 -37.25 83.55 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.348 0.522 . . . . 0.0 111.548 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -33.24 61.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 122.952 0.158 . . . . 0.0 110.721 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -65.63 -37.5 86.75 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.473 0.709 . . . . 0.0 111.813 176.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG3' HD12 ' A' ' 60' ' ' ILE . 41.4 mt-10 -64.22 -26.68 68.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.277 0.631 . . . . 0.0 110.689 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.81 -6.47 76.21 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 119.087 -0.841 . . . . 0.0 114.013 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.0 mt -68.0 -59.93 2.89 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.691 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -43.4 6.38 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.958 0.503 . . . . 0.0 109.898 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 45.37 69.61 0.43 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.629 1.572 . . . . 0.0 111.935 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -59.58 109.78 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.059 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -59.36 112.23 1.67 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.067 0.947 . . . . 0.0 110.494 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -79.77 5.1 14.41 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.249 1.019 . . . . 0.0 112.03 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -116.26 105.77 12.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.251 1.02 . . . . 0.0 109.467 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 124.428 1.091 . . . . 0.0 108.403 175.176 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -115.6 156.2 46.42 Favored Pre-proline 0 N--CA 1.484 1.233 0 C-N-CA 124.257 1.023 . . . . 0.0 109.504 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.08 0.63 6.96 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.111 1.874 . . . . 0.0 112.369 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -90.48 -26.65 19.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.677 1.191 . . . . 0.0 110.513 170.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.29 124.42 89.75 Favored Pre-proline 0 N--CA 1.48 1.062 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.024 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.72 -57.3 1.93 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 124.49 3.46 . . . . 0.0 114.814 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -70.9 -34.16 71.28 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.242 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.9 m -65.11 -47.97 75.32 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.417 0.553 . . . . 0.0 111.162 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.743 HH21 ' HG3' ' A' ' 31' ' ' GLU . 1.4 ptm180 -72.53 -28.37 62.81 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 123.436 0.694 . . . . 0.0 111.046 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' HD11 ' A' ' 32' ' ' LEU . 46.8 t80 -67.73 -50.82 55.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.306 1.043 . . . . 0.0 110.742 176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . -69.53 -36.28 76.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.098 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -59.06 -46.57 87.92 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.357 1.063 . . . . 0.0 109.982 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.7 89.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.339 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.27 -29.37 67.24 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.964 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ALA . 16.6 mm-40 -67.13 -41.03 86.82 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -58.41 -43.36 88.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.449 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.7 -38.44 85.0 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 0.0 111.758 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.35 -37.38 80.49 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.096 0.558 . . . . 0.0 110.956 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -91.82 4.91 51.79 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.714 0.806 . . . . 0.0 111.682 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.8 t70 67.28 16.54 10.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.674 1.19 . . . . 0.0 111.869 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -82.52 55.4 2.93 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.223 1.009 . . . . 0.0 109.373 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.11 -33.31 75.48 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.408 -174.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.3 t -56.97 -45.83 82.61 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.17 0.988 . . . . 0.0 111.941 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.64 -36.6 73.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.227 0.611 . . . . 0.0 110.377 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.63 90.85 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.025 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.36 -49.27 78.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.821 1.248 . . . . 0.0 109.671 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.15 88.3 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.353 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.05 -35.71 80.46 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB2' HD13 ' A' ' 46' ' ' LEU . 24.3 m-85 -71.4 -41.92 69.0 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.23 -28.53 68.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.736 0.414 . . . . 0.0 111.496 174.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.743 ' HG3' HH21 ' A' ' 9' ' ' ARG . 13.9 tp10 -70.14 -40.45 74.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.568 1.147 . . . . 0.0 108.929 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 9' ' ' ARG . 4.7 mt -62.98 -47.83 81.47 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.414 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.31 -51.62 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.635 0.374 . . . . 0.0 111.423 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG3' HG23 ' A' ' 35' ' ' THR . 13.3 pt-20 -62.19 -35.69 79.62 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.418 HG23 ' HG3' ' A' ' 34' ' ' GLU . 68.1 p -95.69 -32.84 12.56 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.39 74.9 59.69 Favored Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 124.802 1.241 . . . . 0.0 109.188 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' HG11 ' A' ' 69' ' ' VAL . 86.4 Cg_endo -73.4 -5.31 16.92 Favored 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 122.13 1.887 . . . . 0.0 112.195 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.12 -26.86 42.84 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.557 0.743 . . . . 0.0 110.455 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -69.99 96.37 1.03 Allowed 'General case' 0 C--N 1.361 1.084 0 CA-C-O 121.308 0.575 . . . . 0.0 109.586 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 69' ' ' VAL . 30.6 t -68.17 -35.88 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.607 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.27 -28.31 70.65 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.88 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.4 m -57.94 -55.04 40.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.715 0.806 . . . . 0.0 111.062 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -55.82 -44.04 77.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.621 1.2 . . . . 0.0 112.135 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.2 t80 -54.33 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 124.253 0.971 . . . . 0.0 111.681 174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -65.07 -29.43 70.32 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 29' ' ' PHE . 40.7 tp -71.05 -41.07 71.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.07 0.548 . . . . 0.0 109.888 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.33 -38.43 62.65 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.028 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -62.51 -36.36 82.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.49 0.716 . . . . 0.0 109.992 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.1 tp -70.8 -39.61 73.0 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.394 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -59.69 -36.46 76.55 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.1 0.56 . . . . 0.0 111.341 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.13 -34.87 79.04 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.728 0.411 . . . . 0.0 111.236 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -67.64 -38.6 84.08 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.925 0.49 . . . . 0.0 110.669 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 74.4 mt -83.21 6.36 19.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.642 0.777 . . . . 0.0 112.668 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.64 17.26 7.32 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.402 1.081 . . . . 0.0 112.658 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -90.72 62.83 5.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.463 1.105 . . . . 0.0 108.685 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 17.8 m -65.56 -37.29 86.25 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.467 0.707 . . . . 0.0 111.967 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.53 -43.63 93.4 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.06 0.544 . . . . 0.0 110.926 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.08 -39.52 86.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 114.702 -1.135 . . . . 0.0 110.175 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.2 -54.28 48.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 0.0 110.638 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 41.0 mm -61.49 -40.3 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 123.652 0.781 . . . . 0.0 111.225 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.37 -44.25 95.31 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.621 0.769 . . . . 0.0 111.1 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.0 m -66.89 -39.26 87.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.811 0.844 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 21.3 m-85 -67.84 -43.57 79.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.681 0.393 . . . . 0.0 110.88 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.56 75.56 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.055 0.942 . . . . 0.0 111.974 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -38.23 89.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.456 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.52 -40.13 91.86 Favored Glycine 0 C--O 1.216 -1.01 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.861 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 87.0 mt -58.53 -43.75 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.405 1.082 . . . . 0.0 111.001 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.37 -46.28 90.53 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.071 0.857 . . . . 0.0 110.546 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 40' ' ' VAL . 21.3 m -82.97 -19.84 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.647 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.48 63.09 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.167 0.587 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -72.3 -29.72 64.12 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.67 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -92.35 -56.79 2.91 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -85.24 -51.19 6.77 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.448 0.699 . . . . 0.0 111.247 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.7 -158.39 31.83 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.37 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.8 p -110.39 177.63 4.63 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.998 0.519 . . . . 0.0 111.219 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.29 -26.9 68.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.045 0.938 . . . . 0.0 111.138 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.79 -49.28 73.62 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.164 0.586 . . . . 0.0 110.341 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -71.03 -41.28 71.06 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.196 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -47.34 84.07 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.7 m -65.78 -36.7 84.27 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 111.244 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -66.15 -42.17 89.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.035 0.534 . . . . 0.0 112.057 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.38 -39.92 64.74 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.434 0.694 . . . . 0.0 111.811 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -67.34 -44.28 79.44 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.99 -47.15 87.77 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.681 0.792 . . . . 0.0 110.814 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.78 97.93 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.463 -173.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 15.2 ptmm? -72.73 -36.0 67.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.164 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.33 -37.21 68.95 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.567 0.622 . . . . 0.0 110.756 -176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -74.43 -30.06 61.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.079 0.152 . . . . 0.0 110.855 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.44 -24.46 66.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.311 0.644 . . . . 0.0 112.282 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 19.3 mm-40 -60.1 -23.51 63.89 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.964 0.506 . . . . 0.0 111.26 170.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.99 2.48 25.92 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.203 -0.453 . . . . 0.0 114.13 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.33 -70.59 0.68 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.062 0.945 . . . . 0.0 109.958 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 5.0 pt-20 -157.45 -54.94 0.08 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 45.9 t60 51.76 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.958 1.303 . . . . 0.0 110.89 -165.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 58.25 38.55 26.13 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.494 0.718 . . . . 0.0 110.262 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -52.75 -49.78 64.8 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.965 0.906 . . . . 0.0 111.94 -173.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.0 t60 58.92 85.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.834 1.254 . . . . 0.0 110.114 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -64.32 111.36 2.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.835 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -67.42 124.54 89.36 Favored Pre-proline 0 N--CA 1.481 1.09 0 CA-C-O 120.705 0.288 . . . . 0.0 110.774 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -85.88 18.26 1.6 Allowed 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.238 1.959 . . . . 0.0 112.782 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -79.15 -37.55 38.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.335 0.654 . . . . 0.0 109.439 170.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.1 129.18 93.84 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.203 0.601 . . . . 0.0 110.355 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.58 -49.48 17.34 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.795 2.997 . . . . 0.0 113.683 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.7 -31.94 72.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.696 0.399 . . . . 0.0 111.891 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 m -77.18 -38.36 51.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.19 -27.41 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.23 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -65.88 -50.0 66.07 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.674 1.19 . . . . 0.0 110.843 171.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.36 75.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.015 0.926 . . . . 0.0 110.461 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.56 -41.93 96.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.133 0.973 . . . . 0.0 110.189 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -61.38 -42.25 98.41 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.871 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 17' ' ' LEU . 52.5 mt-30 -65.31 -31.06 72.0 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.197 0.599 . . . . 0.0 111.465 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.43 -45.47 87.38 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 92.1 m-70 -62.17 -37.36 84.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.257 0.623 . . . . 0.0 111.643 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 HD22 ' A' ' 49' ' ' LEU . 87.5 mt -56.0 -49.66 73.02 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.225 0.61 . . . . 0.0 110.785 173.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.37 -32.38 71.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -102.21 34.33 2.77 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.105 0.962 . . . . 0.0 112.065 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 77.06 -19.97 0.4 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.888 1.275 . . . . 0.0 114.024 164.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 14.6 m120 -82.99 62.45 6.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.802 0.841 . . . . 0.0 110.814 -177.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -30.62 71.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.525 0.73 . . . . 0.0 110.701 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 p -58.25 -44.86 88.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.759 1.224 . . . . 0.0 112.598 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -75.49 -32.92 60.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.527 0.731 . . . . 0.0 110.834 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.59 95.21 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.259 174.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.56 -48.78 80.28 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.538 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.02 -48.4 67.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.836 1.255 . . . . 0.0 112.676 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 94.9 mt -69.59 -34.9 74.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.18 0.592 . . . . 0.0 112.537 -176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 25.0 m-85 -72.14 -43.52 64.53 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.612 0.244 . . . . 0.0 110.498 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.98 -38.94 77.01 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.869 0.867 . . . . 0.0 110.379 174.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.37 -44.35 87.86 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.489 1.116 . . . . 0.0 110.033 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.18 -35.16 79.38 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 123.629 0.772 . . . . 0.0 112.482 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -66.88 -51.11 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.39 0.541 . . . . 0.0 110.685 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.8 -32.36 70.78 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -89.69 -40.41 12.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.325 0.512 . . . . 0.0 111.395 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -127.94 77.8 76.03 Favored Pre-proline 0 N--CA 1.486 1.373 0 C-N-CA 124.192 0.997 . . . . 0.0 109.365 -175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.2 Cg_endo -70.87 -5.19 16.34 Favored 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 122.851 2.367 . . . . 0.0 113.085 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -92.88 -25.23 18.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.785 1.234 . . . . 0.0 111.397 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 102.94 0.73 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 69' ' ' VAL . 58.9 t -71.38 -37.76 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.12 0.968 . . . . 0.0 111.887 -172.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.12 -30.74 71.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.295 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -59.36 -53.79 54.11 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 110.987 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -57.02 -43.19 81.6 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.107 0.88 . . . . 0.0 112.191 -171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.8 t80 -56.98 -63.99 1.03 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.656 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -63.15 -29.77 71.06 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 26.1 tp -71.49 -41.37 69.37 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.94 0.896 . . . . 0.0 109.776 177.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.88 -38.9 75.8 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.802 0.689 . . . . 0.0 112.451 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -59.9 -40.77 89.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.382 0.61 . . . . 0.0 109.609 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 17.6 tp -67.02 -40.17 87.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.807 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.34 -47.25 75.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.651 0.594 . . . . 0.0 110.822 173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 88' ' ' LYS . 39.1 mt-10 -59.6 -38.24 80.71 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.872 0.469 . . . . 0.0 111.893 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 56.0 mtp180 -60.29 -43.02 96.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 0.0 110.374 174.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 mt -81.29 11.42 4.37 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.298 1.039 . . . . 0.0 112.458 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 59.48 25.56 14.37 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.341 1.056 . . . . 0.0 112.061 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.29 41.3 1.38 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.794 1.238 . . . . 0.0 108.675 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.4 m -60.42 -29.2 68.84 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.364 1.066 . . . . 0.0 111.408 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -66.59 -44.95 80.79 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.858 0.863 . . . . 0.0 110.447 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.41 -32.86 74.42 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.434 0.694 . . . . 0.0 110.598 176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 124.049 0.843 . . . . 0.0 110.833 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.534 HD12 ' HG3' ' A' ' 90' ' ' GLU . 28.6 mm -55.55 -46.8 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.467 0.707 . . . . 0.0 110.536 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.98 -38.03 89.61 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.179 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 m -69.35 -44.83 70.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.25 0.62 . . . . 0.0 111.268 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.82 -44.54 95.87 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.274 0.63 . . . . 0.0 110.56 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.4 -40.12 89.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.23 1.012 . . . . 0.0 112.092 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -39.17 76.18 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -32.72 82.44 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.974 175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 79' ' ' LEU . 76.2 mt -60.87 -37.96 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 124.246 1.018 . . . . 0.0 111.56 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.47 -44.81 95.5 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.691 0.796 . . . . 0.0 110.568 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 21.2 m -86.49 -20.25 7.89 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.922 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.492 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.36 62.86 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.416 -0.803 . . . . 0.0 111.697 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.674 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 38.6 ptt180 -64.57 -40.93 96.44 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.674 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 42.5 mt-10 -91.8 -54.49 3.85 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.61 -42.04 17.16 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.499 0.72 . . . . 0.0 111.575 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.2 -178.27 35.91 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.023 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.3 p -83.6 171.02 13.71 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.069 0.547 . . . . 0.0 110.85 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.61 -31.31 69.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.023 0.529 . . . . 0.0 110.474 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.1 tttt -57.28 -50.37 73.11 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.495 0.497 . . . . 0.0 110.384 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 40' ' ' VAL . 60.1 m-20 -60.52 -43.15 97.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.515 0.726 . . . . 0.0 110.731 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 67' ' ' ILE . 44.9 tp -57.51 -45.82 84.53 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.772 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -66.66 -32.13 73.25 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 123.5 0.72 . . . . 0.0 111.938 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 34.6 mm-40 -67.69 -45.42 75.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.707 0.403 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.77 -39.09 80.39 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.709 0.804 . . . . 0.0 112.028 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -70.09 -43.5 70.98 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.453 0.701 . . . . 0.0 110.135 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.94 -45.49 90.28 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.486 1.114 . . . . 0.0 110.763 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -47.03 77.07 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.468 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -70.99 -36.48 72.5 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.809 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.97 -40.11 79.04 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.933 0.788 . . . . 0.0 110.569 -173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.421 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 2.5 pptp? -70.64 -34.94 72.62 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.62 65.21 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.852 0.861 . . . . 0.0 111.626 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 60' ' ' ILE . 48.6 mt-10 -74.36 -24.37 59.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.771 0.828 . . . . 0.0 110.154 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.0 95.21 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 168.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.57 -39.86 84.89 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.572 0.749 . . . . 0.0 109.863 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -91.4 7.5 40.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.402 0.681 . . . . 0.0 112.688 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -87.92 69.8 9.45 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -90.86 167.18 12.64 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.492 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -77.97 127.32 32.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.409 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -69.32 163.64 24.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.706 0.403 . . . . 0.0 110.753 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 71.38 -73.68 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.092 1.357 . . . . 0.0 108.465 -163.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.272 1.429 . . . . 0.0 107.351 173.281 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.96 140.45 90.33 Favored Pre-proline 0 N--CA 1.481 1.08 0 C-N-CA 124.194 0.998 . . . . 0.0 109.34 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -56.1 -29.87 76.53 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.765 2.31 . . . . 0.0 113.838 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 36.7 mt-10 -80.0 -10.07 59.74 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.157 0.583 . . . . 0.0 112.327 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.95 137.62 96.03 Favored Pre-proline 0 N--CA 1.485 1.278 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.056 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -46.96 -50.48 10.82 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.735 2.957 . . . . 0.0 114.606 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -65.5 -36.2 83.13 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.316 0.646 . . . . 0.0 112.403 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.13 -51.56 56.77 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.813 0.34 . . . . 0.0 111.129 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 6.6 ptm85 -74.35 -25.73 59.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.573 0.749 . . . . 0.0 111.66 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -59.64 -49.47 77.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.888 0.875 . . . . 0.0 110.203 168.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -62.2 -37.67 86.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.649 177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.99 -38.69 91.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.066 0.947 . . . . 0.0 110.623 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.01 89.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.776 0.83 . . . . 0.0 111.025 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -58.28 -36.95 74.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.73 0.812 . . . . 0.0 111.7 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.8 mt-10 -68.49 -38.28 80.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.91 0.484 . . . . 0.0 110.946 176.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 21.9 m-70 -61.36 -30.14 70.34 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.838 0.455 . . . . 0.0 111.732 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 49' ' ' LEU . 93.3 mt -58.87 -50.75 72.84 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.234 0.614 . . . . 0.0 111.989 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -74.21 -25.58 59.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.828 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -84.6 5.52 27.55 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.6 0.76 . . . . 0.0 112.507 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.2 t70 70.79 5.22 5.35 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.713 1.205 . . . . 0.0 112.644 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.5 52.62 2.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.09 0.956 . . . . 0.0 109.598 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -57.54 -35.9 70.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.757 1.223 . . . . 0.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -57.14 -45.37 83.6 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.607 1.163 . . . . 0.0 112.297 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -75.38 -33.73 61.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.6 0.76 . . . . 0.0 111.167 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -63.13 -41.3 99.29 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.55 0.74 . . . . 0.0 110.118 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.13 -49.72 73.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.927 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -44.91 87.38 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 124.726 1.266 . . . . 0.0 112.484 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.79 -44.34 96.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.192 0.597 . . . . 0.0 111.904 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 46' ' ' LEU . 20.6 m-85 -64.19 -48.16 76.99 Favored 'General case' 0 CA--C 1.556 1.21 0 O-C-N 123.273 0.358 . . . . 0.0 110.59 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.44 -38.27 80.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.466 0.706 . . . . 0.0 111.08 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.14 -45.98 91.02 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.153 0.908 . . . . 0.0 110.167 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.41 -40.6 87.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.432 0.693 . . . . 0.0 111.768 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.57 -55.15 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 O-C-N 123.658 0.599 . . . . 0.0 110.968 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.17 -35.06 14.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.647 0.379 . . . . 0.0 110.883 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.38 86.21 10.11 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 123.757 0.823 . . . . 0.0 109.646 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.32 -12.92 37.14 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.946 2.431 . . . . 0.0 113.085 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.69 -38.97 87.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.15 0.98 . . . . 0.0 111.917 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 91.96 0.27 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.528 0.68 . . . . 0.0 111.317 -172.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG22 HG23 ' A' ' 69' ' ' VAL . 53.0 t -66.81 -36.56 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.071 1.348 . . . . 0.0 111.578 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.82 -30.01 65.48 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.095 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -59.52 -54.26 48.65 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 123.582 0.753 . . . . 0.0 111.335 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -53.98 -47.96 70.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 112.659 -168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 63.4 t80 -57.95 -58.87 6.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.69 0.618 . . . . 0.0 111.933 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -68.48 -27.59 66.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.815 0.846 . . . . 0.0 112.012 -174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 29' ' ' PHE . 22.7 tp -68.22 -41.14 81.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.974 0.909 . . . . 0.0 109.751 172.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.52 -35.89 75.97 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.71 0.631 . . . . 0.0 112.084 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.9 mmmp? -63.39 -41.07 98.76 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.273 0.629 . . . . 0.0 109.497 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' HB1' ' A' ' 22' ' ' ALA . 21.4 tp -65.37 -41.53 93.67 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.509 176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 8.3 m-85 -54.41 -43.78 71.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.162 0.585 . . . . 0.0 111.25 175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.36 -35.49 73.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.902 0.481 . . . . 0.0 111.912 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.51 -42.06 87.87 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.225 0.61 . . . . 0.0 110.921 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -81.0 14.18 2.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.1 0.96 . . . . 0.0 112.801 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.95 18.21 9.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.067 0.936 . . . . 0.0 110.965 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 10.4 mmm180 -108.29 44.82 1.07 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.284 1.033 . . . . 0.0 110.097 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' A' ' 93' ' ' GLU . 78.6 m -61.77 -28.08 69.19 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.864 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.54 -48.63 78.79 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.862 0.865 . . . . 0.0 110.248 170.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.06 -33.18 75.42 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.25 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.416 0.687 . . . . 0.0 110.63 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' THR . 38.5 mm -56.79 -43.87 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.755 0.822 . . . . 0.0 110.359 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.73 -47.14 86.84 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.704 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 m -71.94 -31.55 66.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.311 0.644 . . . . 0.0 111.457 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.2 m-85 -71.44 -42.17 68.56 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.222 0.609 . . . . 0.0 109.892 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.15 98.11 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.952 . . . . 0.0 111.786 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -41.72 92.25 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.077 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.78 -37.02 92.93 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.195 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 63' ' ' TYR . 62.4 mt -55.22 -46.11 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.331 1.052 . . . . 0.0 110.776 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.32 -46.13 90.95 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 124.369 1.043 . . . . 0.0 110.743 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 HG22 ' A' ' 40' ' ' VAL . 14.2 m -83.28 -22.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.734 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.53 -46.82 36.66 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.23 0.612 . . . . 0.0 111.816 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.34 -35.52 81.14 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.759 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.32 -53.5 4.42 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -96.84 -41.54 8.4 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.55 -166.32 41.78 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 120.152 -0.249 . . . . 0.0 112.597 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.3 p -88.18 168.93 12.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.993 0.517 . . . . 0.0 110.299 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -70.55 -26.12 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.761 0.424 . . . . 0.0 109.883 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.33 -45.91 91.78 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 109.772 172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -60.73 -49.02 79.19 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.833 0.708 . . . . 0.0 110.327 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -56.96 -51.19 70.15 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.567 1.167 . . . . 0.0 111.068 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 t -67.32 -32.06 72.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.027 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -69.4 -46.96 65.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.498 0.719 . . . . 0.0 111.642 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.0 -41.69 98.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.634 0.774 . . . . 0.0 111.203 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.6 -47.25 73.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.616 0.767 . . . . 0.0 110.252 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 32.7 t70 -63.81 -40.42 96.59 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.639 0.776 . . . . 0.0 111.435 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.53 79.94 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.084 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 14.7 ptmm? -71.74 -36.17 70.37 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.596 0.56 . . . . 0.0 112.139 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.26 -35.49 71.42 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.425 0.557 . . . . 0.0 111.238 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 19.8 pttm -76.43 -32.53 58.52 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 173.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.515 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -65.09 -23.26 67.11 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.752 0.821 . . . . 0.0 113.161 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 9.6 mm-40 -53.17 -28.08 24.61 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 123.689 0.795 . . . . 0.0 111.699 167.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.15 -22.34 78.87 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.907 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 56' ' ' THR . 87.3 mt -76.85 -68.87 0.56 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HG2' ' HB ' ' A' ' 56' ' ' THR . 9.4 pt-20 -132.81 89.59 2.65 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.005 0.907 . . . . 0.0 110.519 176.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -83.8 -11.85 56.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.225 164.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -80.24 97.65 7.04 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 121.886 0.85 . . . . 0.0 109.623 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -160.33 139.7 10.88 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -110.31 2.76 19.34 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.547 0.339 . . . . 0.0 111.475 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -164.71 176.75 8.55 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.41 0.624 . . . . 0.0 110.767 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 76.3 t60 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 161.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 119.986 -0.054 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.46 116.07 65.86 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 73.2 Cg_endo -70.11 -13.8 34.22 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.509 2.139 . . . . 0.0 112.047 176.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.77 -19.57 62.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.252 1.021 . . . . 0.0 112.583 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.23 132.92 90.39 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.802 -0.618 . . . . 0.0 109.72 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.61 -52.04 8.47 Favored 'Trans proline' 0 C--N 1.384 2.42 0 C-N-CA 123.423 2.749 . . . . 0.0 113.067 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -67.79 -30.78 70.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.7 m -66.3 -49.31 67.5 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.292 0.37 . . . . 0.0 110.854 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 1.4 ptt180 -74.98 -26.43 59.57 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.025 0.53 . . . . 0.0 111.558 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.25 -48.6 77.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.819 0.848 . . . . 0.0 109.997 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.14 69.9 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.713 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -68.35 -33.63 74.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.311 1.045 . . . . 0.0 110.167 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.64 94.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.385 0.674 . . . . 0.0 110.29 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 17' ' ' LEU . 95.3 mt-30 -65.65 -34.04 77.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.383 0.673 . . . . 0.0 111.107 175.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -64.06 -45.65 87.82 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -59.58 -40.78 88.49 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 111.316 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 49' ' ' LEU . 81.1 mt -56.03 -48.83 75.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.356 0.662 . . . . 0.0 110.699 176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -69.87 -30.96 68.54 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.736 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -89.51 14.63 10.97 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.758 0.823 . . . . 0.0 111.885 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 69.88 4.42 4.76 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.971 1.308 . . . . 0.0 112.939 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -86.62 55.21 3.46 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.181 0.992 . . . . 0.0 110.016 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.79 -34.11 77.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.604 0.762 . . . . 0.0 111.747 -174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -63.89 -38.6 91.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.699 0.8 . . . . 0.0 112.225 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.64 -33.69 66.79 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.685 0.394 . . . . 0.0 110.493 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.19 92.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.701 0.8 . . . . 0.0 110.379 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.5 tp -62.73 -44.94 94.92 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.228 0.955 . . . . 0.0 108.793 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.3 85.69 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.356 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.06 -36.76 84.08 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.326 0.391 . . . . 0.0 112.035 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.8 m-85 -68.94 -43.62 74.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.632 0.373 . . . . 0.0 110.798 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.34 -34.04 74.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.094 0.557 . . . . 0.0 110.938 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -73.37 -35.34 65.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.703 0.801 . . . . 0.0 110.328 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' PHE . 43.5 mt -58.13 -49.84 75.58 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.456 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.63 -53.05 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.003 0.814 . . . . 0.0 111.817 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.8 pt-20 -58.85 -41.77 87.79 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.508 0.505 . . . . 0.0 112.163 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.5 p -83.54 -35.54 24.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.692 0.397 . . . . 0.0 111.344 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -143.68 85.59 9.21 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.322 1.049 . . . . 0.0 109.381 -171.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.97 -14.57 41.53 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.298 1.999 . . . . 0.0 111.293 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -86.22 22.01 1.89 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.958 1.303 . . . . 0.0 111.092 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -112.27 93.81 4.63 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG22 HG23 ' A' ' 69' ' ' VAL . 59.4 t -69.61 -33.96 59.21 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 123.59 0.756 . . . . 0.0 111.655 -169.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.8 -27.52 66.78 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.125 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.7 m -57.53 -58.42 8.37 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 123.373 0.669 . . . . 0.0 111.654 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -56.67 -40.69 75.97 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 124.635 1.209 . . . . 0.0 112.54 -167.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.82 -60.4 3.41 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 124.045 0.84 . . . . 0.0 111.836 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -70.79 -29.19 65.32 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.782 0.833 . . . . 0.0 112.533 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.2 tp -71.89 -41.22 68.24 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.229 1.011 . . . . 0.0 109.854 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.97 -36.26 61.03 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.051 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -62.0 -37.94 86.75 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.06 0.544 . . . . 0.0 110.224 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 17.4 tp -69.64 -37.21 76.68 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.429 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 16.8 m-85 -60.45 -44.45 95.84 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.808 0.443 . . . . 0.0 111.805 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.39 -41.44 69.25 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.989 0.516 . . . . 0.0 110.594 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -63.45 -45.96 88.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.165 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.89 13.19 2.78 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.67 0.788 . . . . 0.0 112.866 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.7 t70 62.62 18.54 10.62 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.455 1.122 . . . . 0.0 111.217 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 13.7 mmm180 -101.82 42.74 1.11 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.648 1.179 . . . . 0.0 108.309 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 60' ' ' ILE . 11.3 m -66.17 -30.07 70.47 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.879 0.872 . . . . 0.0 111.63 -172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.26 -42.08 93.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.665 0.786 . . . . 0.0 110.598 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.29 -34.58 77.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.035 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.697 0.799 . . . . 0.0 110.562 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.545 HG23 ' HE3' ' A' ' 86' ' ' LYS . 40.4 mm -55.27 -42.55 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.754 0.822 . . . . 0.0 110.61 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.53 -34.13 65.07 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.266 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.4 m -69.91 -44.78 68.96 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.558 0.743 . . . . 0.0 110.614 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.1 m-85 -62.78 -39.29 93.74 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.237 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 67' ' ' ILE . . . -60.47 -46.76 88.92 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 0.0 111.778 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -43.67 86.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.52 0.728 . . . . 0.0 110.474 172.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.03 -40.18 98.14 Favored Glycine 0 C--O 1.213 -1.178 0 CA-C-N 113.935 -1.484 . . . . 0.0 113.447 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 63' ' ' TYR . 77.6 mt -57.19 -41.78 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 C-N-CA 124.626 1.17 . . . . 0.0 110.915 -178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.0 -47.37 83.4 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.363 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG23 HG22 ' A' ' 40' ' ' VAL . 22.6 m -81.77 -18.89 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.022 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -71.58 -45.68 61.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.558 0.743 . . . . 0.0 110.643 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -71.24 -28.41 64.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.551 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -89.4 -55.74 3.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.77 0.428 . . . . 0.0 111.944 -178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -89.28 -50.65 6.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.954 0.901 . . . . 0.0 111.65 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -162.05 32.12 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 77' ' ' LYS . 81.8 p -100.02 178.13 4.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -58.83 -28.33 65.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.001 0.92 . . . . 0.0 111.617 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 13.9 pttp -60.85 -44.69 96.66 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' HB3' HG11 ' A' ' 40' ' ' VAL . 18.0 m-20 -68.78 -39.36 80.23 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 109.911 -174.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.84 -46.21 85.11 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.879 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -70.64 -36.4 73.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.512 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 49.7 mt-10 -69.98 -42.52 73.02 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.711 0.804 . . . . 0.0 111.063 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 70' ' ' ALA . 59.6 mt -73.45 -37.11 65.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.201 0.601 . . . . 0.0 111.43 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -66.02 -41.89 90.38 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.037 0.535 . . . . 0.0 110.339 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.0 -43.43 82.95 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.612 0.765 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.521 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . . . -65.84 -40.1 91.43 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.826 -174.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' A' ' 60' ' ' ILE . 19.5 ptmt -71.26 -43.37 67.36 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.332 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.1 pp -66.72 -34.38 77.73 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.756 -173.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 85' ' ' ALA . 16.5 pttp -71.52 -34.81 70.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.323 0.249 . . . . 0.0 110.353 173.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.62 -25.4 64.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.428 0.691 . . . . 0.0 111.936 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 60.7 mt-10 -65.81 -29.91 70.47 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.904 0.481 . . . . 0.0 110.31 170.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.563 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -67.71 -26.58 73.75 Favored Glycine 0 C--N 1.351 1.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.518 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.33 -32.16 58.53 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.338 0.655 . . . . 0.0 110.13 174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -70.15 -66.39 0.6 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 123.56 0.744 . . . . 0.0 111.185 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -165.44 117.53 1.14 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 52.1 t-80 -140.57 115.21 9.5 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.729 . . . . 0.0 109.907 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -87.38 -70.92 0.59 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.03 94.84 0.76 Allowed 'General case' 0 C--N 1.349 0.549 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -69.0 -53.63 19.51 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.322 0.649 . . . . 0.0 110.046 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 . . . . . 0 C--O 1.242 0.663 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.475 0.179 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.81 139.5 21.89 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.4 Cg_exo -54.85 -4.69 0.37 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.775 2.983 . . . . 0.0 116.546 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.53 -34.84 63.08 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.809 0.444 . . . . 0.0 111.433 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.72 138.03 89.99 Favored Pre-proline 0 N--CA 1.491 1.617 0 C-N-CA 124.023 0.929 . . . . 0.0 111.123 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -54.61 -46.54 32.65 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.405 2.736 . . . . 0.0 112.828 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.21 -40.55 90.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.217 0.607 . . . . 0.0 111.995 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 m -78.79 -37.57 40.55 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.42 -171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 8.9 ptm180 -74.62 -26.46 59.91 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.107 0.563 . . . . 0.0 110.707 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.72 -49.04 69.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.853 . . . . 0.0 109.845 169.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.46 87.22 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.87 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -63.12 -42.45 99.54 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.749 1.22 . . . . 0.0 110.307 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.751 0.82 . . . . 0.0 110.868 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 17' ' ' LEU . 54.2 mt-30 -64.35 -30.51 71.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.374 0.67 . . . . 0.0 111.723 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -75.35 -36.44 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.243 0.217 . . . . 0.0 110.696 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -62.74 -31.83 72.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.518 0.327 . . . . 0.0 110.831 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 HD22 ' A' ' 49' ' ' LEU . 86.0 mt -59.38 -47.58 84.9 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.329 0.652 . . . . 0.0 111.551 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.57 -23.11 53.53 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.712 0.405 . . . . 0.0 111.177 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -87.37 8.89 22.49 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.429 0.691 . . . . 0.0 111.36 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.56 4.78 4.85 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 125.001 1.32 . . . . 0.0 112.704 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.35 55.48 3.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.269 1.028 . . . . 0.0 109.376 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.83 -36.37 84.11 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.812 0.845 . . . . 0.0 111.126 -176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 p -58.46 -44.3 89.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.026 0.93 . . . . 0.0 111.741 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -73.56 -35.63 65.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.643 . . . . 0.0 110.652 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.96 85.43 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.477 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.97 -48.01 80.7 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.467 1.104 . . . . 0.0 108.67 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.5 82.85 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.027 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.72 -42.15 99.51 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.082 0.553 . . . . 0.0 112.019 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 46' ' ' LEU . 26.1 m-85 -67.73 -46.7 71.41 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 122.608 0.363 . . . . 0.0 110.507 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.04 -30.5 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.731 0.812 . . . . 0.0 111.271 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.24 -42.87 71.65 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.753 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -57.44 -44.07 84.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.375 0.67 . . . . 0.0 111.332 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.69 -53.61 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 124.07 0.856 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.3 -45.48 80.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -69.88 -34.76 74.0 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.116 0.567 . . . . 0.0 111.921 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.46 95.16 4.68 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.633 0.773 . . . . 0.0 109.406 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG11 ' A' ' 69' ' ' VAL . 72.3 Cg_endo -71.66 -3.06 12.36 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.544 2.163 . . . . 0.0 113.246 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 9.0 m-20 -94.62 -22.16 18.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.448 0.699 . . . . 0.0 111.565 -174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -66.95 93.15 0.26 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.159 0.583 . . . . 0.0 109.692 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 69' ' ' VAL . 42.0 t -65.92 -36.72 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.607 1.163 . . . . 0.0 111.474 -172.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.1 60.66 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 123.845 0.716 . . . . 0.0 113.601 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.8 m -56.1 -55.32 34.41 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.902 0.881 . . . . 0.0 111.591 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -55.58 -40.03 71.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.779 1.3 . . . . 0.0 113.251 -165.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.14 -59.58 5.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.29 0.369 . . . . 0.0 111.632 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -68.49 -28.11 66.73 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.658 0.783 . . . . 0.0 112.561 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 29' ' ' PHE . 31.2 tp -69.41 -45.92 68.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.487 0.715 . . . . 0.0 109.809 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 -34.72 69.01 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.566 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 68.0 mmtt -69.35 -35.84 76.29 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.114 0.565 . . . . 0.0 110.424 178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.8 tp -66.51 -40.25 89.1 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.982 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.75 -48.75 78.76 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.684 0.615 . . . . 0.0 110.68 173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -54.84 -40.14 69.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.283 0.633 . . . . 0.0 111.355 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -66.77 -37.44 84.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.389 0.675 . . . . 0.0 111.223 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.6 mt -82.09 7.23 13.94 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.008 0.923 . . . . 0.0 112.256 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 54.54 43.0 30.96 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 122.632 1.206 . . . . 0.0 110.915 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -115.15 57.0 0.73 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.117 1.367 . . . . 0.0 108.754 174.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 59.3 m -55.13 -42.0 72.44 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.034 -0.984 . . . . 0.0 112.085 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.46 -38.7 87.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.476 0.711 . . . . 0.0 111.292 -176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.39 -40.66 96.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.353 0.661 . . . . 0.0 110.104 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.8 79.95 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.267 0.979 . . . . 0.0 111.023 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 35.8 mm -57.28 -44.26 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 123.676 0.791 . . . . 0.0 111.214 -177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.72 -41.04 92.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.904 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 m -61.33 -48.09 82.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.923 0.889 . . . . 0.0 111.058 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' ILE . 27.4 m-85 -64.36 -45.0 89.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.049 0.54 . . . . 0.0 110.875 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.3 80.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.501 1.121 . . . . 0.0 112.017 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.19 91.99 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.62 -37.47 94.26 Favored Glycine 0 C--O 1.21 -1.354 0 CA-C-N 114.62 -1.173 . . . . 0.0 113.306 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 63' ' ' TYR . 72.6 mt -57.45 -42.28 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.097 0.959 . . . . 0.0 111.102 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.99 -44.8 95.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.883 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 40' ' ' VAL . 21.9 m -83.38 -18.92 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.748 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.88 -46.0 55.19 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.455 0.702 . . . . 0.0 111.5 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -66.42 -29.61 69.8 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -90.15 -52.5 4.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.151 0.581 . . . . 0.0 112.278 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 58.5 mm-40 -88.05 -51.35 5.85 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.292 0.637 . . . . 0.0 111.515 -175.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.65 -165.92 41.74 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -98.34 176.17 5.8 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.047 0.539 . . . . 0.0 110.926 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' NE2' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -57.84 -29.94 65.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.91 0.884 . . . . 0.0 110.914 173.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -59.68 -52.37 65.78 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.191 0.997 . . . . 0.0 111.057 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -63.94 -45.42 89.27 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.442 0.697 . . . . 0.0 110.323 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD23 ' NE2' ' A' ' 76' ' ' GLN . 59.7 tp -56.09 -46.41 79.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.363 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 t -68.27 -33.41 74.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.739 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -63.7 -47.75 79.9 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.138 0.575 . . . . 0.0 111.18 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.82 -41.06 83.64 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.82 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.93 -46.22 82.54 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.548 0.739 . . . . 0.0 110.672 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.45 -47.43 86.16 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.176 0.991 . . . . 0.0 110.83 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.27 87.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.057 -1.429 . . . . 0.0 112.233 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.47 -42.2 75.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.62 -37.42 82.48 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 118.152 0.433 . . . . 0.0 110.918 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -33.91 64.12 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.559 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.81 61.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.943 0.497 . . . . 0.0 110.803 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.74 -28.88 62.91 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.119 0.568 . . . . 0.0 110.503 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.88 -24.37 66.6 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.666 170.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.22 -62.25 1.48 Allowed 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.176 0.59 . . . . 0.0 110.824 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.6 32.39 0.37 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -168.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -74.6 -19.69 60.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.563 -0.711 . . . . 0.0 109.494 167.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.63 80.37 0.28 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.872 0.869 . . . . 0.0 109.533 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -69.19 130.59 43.1 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.592 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.74 104.94 2.57 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -59.13 129.78 43.77 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.06 0.85 . . . . 0.0 111.643 -173.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 123.688 0.795 . . . . 0.0 109.064 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.389 0.138 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -141.87 152.6 62.74 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 124.306 1.043 . . . . 0.0 110.31 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 58.6 Cg_endo -81.65 4.0 7.37 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.954 2.436 . . . . 0.0 112.781 172.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.05 -27.17 67.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.625 0.77 . . . . 0.0 110.666 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 135.87 94.24 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 110.347 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -58.97 -52.58 4.85 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 123.197 2.598 . . . . 0.0 112.532 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.41 -32.3 73.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.857 0.723 . . . . 0.0 111.222 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -67.87 -49.75 60.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.879 0.472 . . . . 0.0 111.037 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HB2' HD22 ' A' ' 28' ' ' LEU . 5.8 ptm180 -73.4 -26.23 60.89 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.722 0.409 . . . . 0.0 110.727 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.73 -46.01 80.5 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.566 1.147 . . . . 0.0 110.538 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.7 -36.28 70.51 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.73 0.812 . . . . 0.0 110.599 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.42 -35.39 80.76 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.342 1.057 . . . . 0.0 110.146 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.47 91.18 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.091 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -65.52 -34.44 78.26 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.352 0.661 . . . . 0.0 111.274 174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.12 -37.89 84.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.703 0.401 . . . . 0.0 110.481 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -63.88 -40.71 97.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.224 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.4 mt -57.75 -48.66 78.99 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.314 0.646 . . . . 0.0 112.052 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -72.3 -20.98 61.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.958 0.503 . . . . 0.0 111.437 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -93.87 13.64 21.99 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.54 0.736 . . . . 0.0 111.815 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 71.81 -1.8 2.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.933 1.293 . . . . 0.0 112.758 174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.28 61.28 2.71 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.667 1.187 . . . . 0.0 110.276 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.85 -33.44 75.84 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.078 0.951 . . . . 0.0 110.725 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.0 p -59.96 -49.3 78.22 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.689 1.196 . . . . 0.0 111.864 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -62.17 -42.18 99.02 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.56 91.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.372 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.43 -51.68 61.93 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.246 0.966 . . . . 0.0 109.094 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.95 73.85 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.382 1.051 . . . . 0.0 112.354 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 9' ' ' ARG . 75.3 mt -63.44 -47.07 83.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.744 0.418 . . . . 0.0 111.928 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB2' HD13 ' A' ' 46' ' ' LEU . 23.6 m-85 -66.68 -44.85 80.67 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 122.674 0.39 . . . . 0.0 110.975 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -57.45 -41.77 81.16 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.401 0.68 . . . . 0.0 111.178 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -68.19 -35.37 77.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.08 -37.89 88.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.191 0.596 . . . . 0.0 111.979 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.05 -49.02 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.964 0.506 . . . . 0.0 111.61 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.05 -32.79 74.47 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.4 p -89.5 -32.09 17.36 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.685 0.394 . . . . 0.0 111.333 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -134.14 80.86 52.3 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 123.882 0.873 . . . . 0.0 108.804 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' O ' HG11 ' A' ' 69' ' ' VAL . 31.6 Cg_exo -62.1 -16.73 52.26 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.841 2.361 . . . . 0.0 112.88 175.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.82 13.2 21.06 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.311 1.044 . . . . 0.0 112.478 -175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.442 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 15.7 t80 -106.02 88.47 2.81 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 69' ' ' VAL . 43.9 t -63.22 -36.81 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.931 0.892 . . . . 0.0 112.404 -171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.61 -36.2 84.39 Favored Glycine 0 C--N 1.353 1.52 0 O-C-N 123.578 0.549 . . . . 0.0 113.057 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 46.3 m -63.69 -45.04 91.82 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.354 0.661 . . . . 0.0 111.536 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -56.54 -42.89 79.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.813 0.696 . . . . 0.0 112.019 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.87 -64.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.648 0 O-C-N 123.714 0.634 . . . . 0.0 111.415 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.55 -28.35 69.8 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 29' ' ' PHE . 36.6 tp -73.29 -42.93 61.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.533 0.733 . . . . 0.0 109.971 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -69.89 -41.87 71.25 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.631 0.582 . . . . 0.0 111.922 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 13.0 mmmm -60.72 -38.05 83.78 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.025 0.93 . . . . 0.0 110.183 177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' HB1' ' A' ' 22' ' ' ALA . 12.9 tp -65.24 -43.42 91.47 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.907 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 17.4 m-85 -57.7 -44.22 85.71 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.525 0.515 . . . . 0.0 111.0 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 97.6 mt-10 -55.14 -42.45 73.05 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.777 0.831 . . . . 0.0 111.335 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 51.2 mtp180 -67.4 -35.41 79.24 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.528 0.731 . . . . 0.0 110.988 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.5 mt -85.78 15.17 5.01 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 123.902 0.881 . . . . 0.0 112.749 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.9 9.05 5.05 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.535 1.134 . . . . 0.0 112.291 -176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 14.5 mmm180 -91.17 52.09 2.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.327 1.051 . . . . 0.0 109.585 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 60' ' ' ILE . 72.3 m -58.38 -40.52 82.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.197 0.999 . . . . 0.0 111.944 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.08 -44.02 95.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.11 -41.05 97.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.206 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -53.29 59.87 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.698 0.799 . . . . 0.0 110.934 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 56' ' ' THR . 30.4 mm -59.2 -38.99 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.283 1.033 . . . . 0.0 109.995 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.45 -41.33 84.88 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -68.09 -38.26 82.13 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.458 0.703 . . . . 0.0 110.869 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -68.61 -38.34 80.5 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.099 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.15 86.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.833 0.853 . . . . 0.0 111.701 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -39.42 93.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.94 96.01 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-N 114.376 -1.283 . . . . 0.0 113.226 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.7 mt -63.49 -35.5 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 124.57 1.148 . . . . 0.0 111.156 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.49 -49.06 79.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.786 0.803 . . . . 0.0 109.816 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG23 HG22 ' A' ' 40' ' ' VAL . 11.1 m -83.28 -18.97 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.85 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -74.32 -42.03 60.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.381 0.672 . . . . 0.0 111.527 -176.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.677 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 25.2 ptt180 -69.45 -37.65 77.45 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.7 176.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.677 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.8 mt-10 -89.01 -55.37 3.71 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.245 0.618 . . . . 0.0 112.237 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -88.76 -42.25 12.04 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.618 0.767 . . . . 0.0 111.759 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.31 34.95 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -108.01 -177.7 3.41 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.121 0.461 . . . . 0.0 109.957 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -26.74 68.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.007 0.523 . . . . 0.0 111.001 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 81' ' ' GLU . 65.4 tttp -62.46 -50.86 69.77 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.423 0.452 . . . . 0.0 109.968 175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.551 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.3 m-20 -56.53 -44.44 80.83 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.943 0.897 . . . . 0.0 110.037 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.2 -48.97 78.68 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.378 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 m -64.59 -37.06 86.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.351 0.66 . . . . 0.0 111.954 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 77' ' ' LYS . 52.3 mt-10 -70.25 -35.22 73.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.401 0.681 . . . . 0.0 111.57 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -73.95 -38.74 64.15 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.802 0.441 . . . . 0.0 111.774 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.66 -41.31 83.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.542 0.737 . . . . 0.0 110.061 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.89 -45.71 91.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.404 1.082 . . . . 0.0 110.639 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.5 88.54 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.756 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -66.38 -41.46 89.35 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.87 -34.63 75.76 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.837 0.744 . . . . 0.0 110.878 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -75.01 -33.84 61.86 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 122.47 -0.144 . . . . 0.0 110.944 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.82 76.29 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.097 0.559 . . . . 0.0 112.348 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.57 -35.33 72.21 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.43 -10.55 63.33 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 119.177 -0.791 . . . . 0.0 114.841 176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.15 -68.28 0.39 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 118.243 1.021 . . . . 0.0 109.775 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.47 -51.85 13.68 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.721 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -86.84 69.16 10.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -91.73 166.12 12.94 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.692 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -63.0 107.85 1.09 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.802 0.841 . . . . 0.0 110.96 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -97.56 111.17 23.55 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.741 0.816 . . . . 0.0 109.035 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -158.29 167.57 29.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.514 0.726 . . . . 0.0 110.489 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.2 m80 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 169.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.54 126.1 78.32 Favored Pre-proline 0 C--N 1.351 0.642 0 O-C-N 123.711 0.632 . . . . 0.0 109.347 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -75.99 5.28 4.58 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.179 1.919 . . . . 0.0 111.854 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.33 -9.35 55.12 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.265 1.026 . . . . 0.0 111.059 170.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.17 128.68 93.98 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.038 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -56.34 -59.74 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.359 2.706 . . . . 0.0 113.044 -171.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.82 -40.6 95.84 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 122.788 0.435 . . . . 0.0 111.384 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 m -57.54 -55.84 29.64 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.644 0.59 . . . . 0.0 110.638 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 28' ' ' LEU . 15.3 ptm180 -74.2 -27.74 60.94 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.321 0.648 . . . . 0.0 112.241 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -67.18 -53.05 33.98 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.542 0.737 . . . . 0.0 109.886 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.25 81.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.868 0.867 . . . . 0.0 110.93 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -63.21 -39.5 94.79 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 0.0 110.137 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.51 93.85 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.707 0.803 . . . . 0.0 111.074 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -61.65 -36.49 80.96 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.809 0.443 . . . . 0.0 111.02 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.46 -38.06 74.41 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.645 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -56.94 -42.48 80.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.097 0.559 . . . . 0.0 110.102 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 22' ' ' ALA . 95.3 mt -58.56 -45.54 88.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.62 0.768 . . . . 0.0 110.84 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.52 -32.39 74.01 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -85.97 10.89 12.74 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.184 0.993 . . . . 0.0 112.438 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 74.72 -6.65 1.88 Allowed 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.163 1.385 . . . . 0.0 112.506 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -80.41 67.97 6.44 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.228 1.011 . . . . 0.0 110.773 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -68.31 -42.51 79.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.135 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.2 t -65.3 -29.69 70.47 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.826 0.85 . . . . 0.0 112.144 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -75.89 -40.95 53.46 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.256 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.91 79.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.504 174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.56 -53.1 61.95 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 124.619 1.199 . . . . 0.0 108.792 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.08 62.9 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.611 1.194 . . . . 0.0 112.522 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HA ' HH21 ' A' ' 9' ' ' ARG . 51.5 mt -64.49 -43.14 95.09 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HB2' HD13 ' A' ' 46' ' ' LEU . 28.2 m-85 -71.25 -45.28 63.59 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 123.701 0.625 . . . . 0.0 110.686 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -54.39 -44.47 72.33 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.316 0.646 . . . . 0.0 111.103 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 26.4 tt0 -70.25 -34.5 72.92 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.022 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.62 -42.09 87.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.795 0.438 . . . . 0.0 111.058 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -53.34 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.623 0.769 . . . . 0.0 111.413 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 12.8 pt-20 -70.95 -29.94 66.1 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.3 t -87.56 -30.95 20.15 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 119.224 0.92 . . . . 0.0 110.744 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -145.76 90.54 5.87 Favored Pre-proline 0 C--O 1.246 0.881 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' O ' HG11 ' A' ' 69' ' ' VAL . 23.7 Cg_endo -61.1 -9.96 13.83 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.915 2.41 . . . . 0.0 113.782 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.34 12.43 36.32 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.797 0.839 . . . . 0.0 112.772 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -102.65 95.83 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ASP . 34.3 t -64.51 -34.53 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.281 1.032 . . . . 0.0 112.059 -171.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.68 -34.79 83.56 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.773 0.671 . . . . 0.0 112.83 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -58.09 -52.06 67.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 123.238 0.615 . . . . 0.0 111.237 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -58.93 -44.51 91.36 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.118 0.886 . . . . 0.0 113.344 -168.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 32.7 t80 -60.48 -56.93 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.42 0.45 . . . . 0.0 111.087 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.52 -28.96 67.45 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.129 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 29' ' ' PHE . 44.6 tp -73.68 -41.05 63.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.652 0.781 . . . . 0.0 109.993 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.57 65.7 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.906 0.754 . . . . 0.0 112.263 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 2.3 mmmp? -61.02 -37.89 84.17 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.7 tp -64.15 -43.13 96.14 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.994 0.917 . . . . 0.0 111.516 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 3.5 m-85 -54.51 -46.61 73.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.638 0.775 . . . . 0.0 111.45 174.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.51 -34.42 72.59 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.492 0.717 . . . . 0.0 111.94 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -65.33 -35.85 82.24 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.456 0.702 . . . . 0.0 110.431 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.63 13.35 10.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.297 1.039 . . . . 0.0 111.69 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 62.19 18.0 9.72 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.088 1.355 . . . . 0.0 112.519 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 30.1 mmm180 -96.21 51.04 1.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.099 0.96 . . . . 0.0 108.802 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.7 m -64.14 -31.59 72.84 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.09 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.44 -39.37 81.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.529 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.36 -41.83 90.15 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 123.639 0.587 . . . . 0.0 109.687 171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.49 81.47 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.471 0.709 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 56' ' ' THR . 32.7 mm -58.73 -42.07 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.541 0.736 . . . . 0.0 110.858 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.64 -38.95 84.58 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.971 0.908 . . . . 0.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -64.59 -47.81 77.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.937 0.895 . . . . 0.0 110.791 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.2 m-85 -62.67 -42.26 99.53 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.004 0.522 . . . . 0.0 110.067 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.54 70.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 0.0 112.117 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -35.51 63.82 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.272 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.71 -40.69 99.12 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.458 -1.246 . . . . 0.0 113.707 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 63' ' ' TYR . 88.5 mt -57.52 -41.37 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.654 1.181 . . . . 0.0 111.243 -177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.84 -44.43 96.96 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.457 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 22.5 m -85.65 -20.12 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.321 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -70.52 -43.79 68.89 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.151 0.58 . . . . 0.0 111.545 -174.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -62.14 -38.72 90.04 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.425 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 45.4 mt-10 -89.68 -51.58 5.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.425 0.69 . . . . 0.0 112.717 -171.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.86 -51.3 9.9 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.055 0.942 . . . . 0.0 111.454 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.61 -166.16 32.08 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.014 -0.434 . . . . 0.0 112.014 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.2 p -85.68 171.67 11.46 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.792 0.33 . . . . 0.0 110.359 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.2 -18.71 65.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.112 0.565 . . . . 0.0 110.451 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 61.7 tttp -65.96 -47.07 75.82 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.044 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.573 ' HB3' HG11 ' A' ' 40' ' ' VAL . 9.2 m-20 -57.79 -43.66 85.75 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.403 0.681 . . . . 0.0 110.39 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.1 tp -54.99 -46.71 75.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.578 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -69.75 -31.95 70.2 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 63.3 mm-40 -65.72 -47.45 75.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.144 0.577 . . . . 0.0 110.289 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 70' ' ' ALA . 92.5 mt -72.99 -37.11 67.13 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.678 0.791 . . . . 0.0 112.154 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -68.71 -44.18 74.46 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.042 0.537 . . . . 0.0 110.331 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -41.69 98.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.132 0.573 . . . . 0.0 110.619 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.45 78.79 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.6 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -67.55 -43.96 79.44 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.566 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -38.56 90.42 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.978 0.808 . . . . 0.0 111.047 -173.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -74.68 -30.97 61.77 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.311 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -72.12 -29.96 64.58 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.423 0.689 . . . . 0.0 112.047 174.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 44.3 mt-10 -68.86 -32.94 72.97 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 170.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.617 ' HA2' ' HB2' ' A' ' 95' ' ' HIS . . . -84.62 22.65 8.61 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-N 115.555 -0.748 . . . . 0.0 113.441 171.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 86.7 mt -105.51 -43.64 4.9 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 168.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -110.66 -53.25 2.71 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -68.48 -35.75 77.98 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.137 0.494 . . . . 0.0 109.788 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.617 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 22.6 m170 -116.38 90.11 3.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 168.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -50.98 119.08 3.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.883 0.873 . . . . 0.0 112.031 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -79.53 73.61 6.2 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.431 0.692 . . . . 0.0 110.004 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -137.03 121.86 18.74 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.715 0.806 . . . . 0.0 109.966 -175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 124.477 1.111 . . . . 0.0 108.115 174.786 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.543 0.687 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.99 140.68 21.63 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.671 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.44 -7.17 20.72 Favored 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.265 1.976 . . . . 0.0 112.725 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.46 -14.43 43.24 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.242 0.617 . . . . 0.0 111.153 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.73 128.37 85.55 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -47.51 -57.27 2.42 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.826 3.017 . . . . 0.0 114.544 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -65.34 -32.28 73.84 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 0.0 111.935 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 m -71.55 -44.83 63.86 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.122 0.264 . . . . 0.0 111.272 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -73.02 -27.01 61.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.1 0.56 . . . . 0.0 110.034 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.96 -49.55 69.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.925 1.29 . . . . 0.0 110.524 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.17 86.66 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.391 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.13 -33.9 75.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.999 0.92 . . . . 0.0 110.536 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.99 89.39 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.408 0.683 . . . . 0.0 110.675 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -62.2 -37.52 85.64 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.163 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.13 -46.55 86.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.166 0.586 . . . . 0.0 110.217 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.47 -38.21 80.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.43 0.692 . . . . 0.0 111.736 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 HD22 ' A' ' 49' ' ' LEU . 86.6 mt -60.6 -44.17 96.56 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.739 0.416 . . . . 0.0 110.938 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.89 -29.25 63.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.152 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.14 8.38 24.02 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.959 0.904 . . . . 0.0 112.129 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 76.62 -8.17 1.71 Allowed 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 124.613 1.165 . . . . 0.0 112.758 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.1 59.39 1.7 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.582 1.153 . . . . 0.0 111.352 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.56 77.95 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.021 0.928 . . . . 0.0 111.89 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.2 p -59.37 -48.61 80.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.234 1.014 . . . . 0.0 111.945 175.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -70.41 -31.31 68.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.897 0.479 . . . . 0.0 111.073 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.02 88.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.543 0.737 . . . . 0.0 110.697 174.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.14 -43.08 96.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.295 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.21 -47.22 81.85 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.702 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.25 -36.6 81.96 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HA ' HD12 ' A' ' 32' ' ' LEU . 26.7 m-85 -70.35 -43.81 69.46 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.011 0.434 . . . . 0.0 110.498 177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.38 -27.25 66.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.182 0.593 . . . . 0.0 111.703 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.98 -36.82 64.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.919 0.888 . . . . 0.0 109.424 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.4 mt -58.79 -49.9 75.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.906 0.883 . . . . 0.0 111.078 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.66 -50.03 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.672 0.789 . . . . 0.0 111.249 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -46.37 67.09 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.8 p -82.22 -34.68 28.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.779 0.718 . . . . 0.0 111.95 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.8 82.37 26.44 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 123.893 0.877 . . . . 0.0 109.489 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.17 -16.95 57.82 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.163 2.575 . . . . 0.0 112.961 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.47 -30.85 66.47 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.439 1.095 . . . . 0.0 110.843 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.51 91.65 0.59 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.831 0.707 . . . . 0.0 110.48 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.625 HG22 HG23 ' A' ' 69' ' ' VAL . 43.1 t -67.62 -31.59 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.268 1.027 . . . . 0.0 111.437 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -27.55 65.22 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.893 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.29 -57.42 12.68 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.611 0.764 . . . . 0.0 111.132 172.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -59.66 -42.06 91.98 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.598 1.186 . . . . 0.0 112.583 -164.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 35.2 t80 -57.36 -59.77 4.64 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.664 0.786 . . . . 0.0 111.707 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.58 -29.87 69.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.786 0.834 . . . . 0.0 112.258 -175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 23.2 tp -73.87 -38.32 64.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 109.877 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.18 -39.88 94.7 Favored Glycine 0 C--N 1.341 0.839 0 O-C-N 123.859 0.724 . . . . 0.0 111.671 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 33.4 mmtp -62.85 -39.74 95.32 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.16 0.584 . . . . 0.0 111.025 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD22 HD21 ' A' ' 17' ' ' LEU . 22.8 tp -66.74 -41.93 87.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.255 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.43 -48.62 74.15 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.135 0.574 . . . . 0.0 111.282 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 56' ' ' THR . 42.5 mt-10 -57.76 -37.61 73.95 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.586 0.355 . . . . 0.0 111.492 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -69.01 -33.89 74.38 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.414 0.686 . . . . 0.0 111.346 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.41 13.75 7.76 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.765 0.826 . . . . 0.0 112.634 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.11 17.12 10.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.535 1.134 . . . . 0.0 111.857 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -102.17 42.64 1.12 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.201 1.401 . . . . 0.0 109.37 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 51' ' ' GLU . 21.9 m -61.82 -32.2 72.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 112.054 -175.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.41 -41.34 85.06 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.069 0.548 . . . . 0.0 110.893 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.4 -32.18 73.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.704 0.801 . . . . 0.0 110.316 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.41 94.14 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.21 0.944 . . . . 0.0 110.327 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 90' ' ' GLU . 27.5 mm -57.85 -42.62 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 123.882 0.739 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.7 -41.08 92.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.836 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.2 m -64.15 -40.83 96.98 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.744 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -67.75 -44.41 77.58 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.375 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.93 84.02 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.14 0.976 . . . . 0.0 112.149 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -39.97 92.84 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.28 93.22 Favored Glycine 0 C--O 1.208 -1.484 0 CA-C-N 114.304 -1.316 . . . . 0.0 113.77 174.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.87 -35.97 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 C-N-CA 123.946 0.898 . . . . 0.0 111.147 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.91 -50.39 74.21 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.506 1.122 . . . . 0.0 110.203 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.625 HG23 HG22 ' A' ' 40' ' ' VAL . 15.5 m -82.3 -19.83 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.523 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.45 -43.62 59.93 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.47 0.708 . . . . 0.0 111.508 -175.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.78 -37.73 73.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.81 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.54 -54.02 4.37 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.874 0.47 . . . . 0.0 112.051 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -87.29 -34.63 18.82 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.409 0.684 . . . . 0.0 111.972 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -164.05 29.04 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 p -98.03 173.47 7.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.696 0.798 . . . . 0.0 110.95 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.14 -22.1 66.88 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.079 0.552 . . . . 0.0 110.567 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 14.2 tmtt? -62.06 -50.25 72.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.412 0.685 . . . . 0.0 109.966 172.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' A' ' 40' ' ' VAL . 40.9 m-20 -64.03 -40.83 97.2 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.55 0.74 . . . . 0.0 110.618 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.23 -48.46 81.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.356 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -63.79 -34.54 78.13 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.92 0.888 . . . . 0.0 111.638 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 80.8 mm-40 -62.5 -49.18 76.38 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.469 0.708 . . . . 0.0 110.832 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 70' ' ' ALA . 95.7 mt -72.94 -36.01 67.11 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.36 -41.59 80.45 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.744 0.653 . . . . 0.0 110.362 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.72 -39.07 73.59 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.664 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.43 88.26 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.447 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.32 -44.34 75.6 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.445 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.84 -37.78 88.67 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.831 0.742 . . . . 0.0 111.53 -174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -37.38 68.27 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.041 0.213 . . . . 0.0 110.529 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.44 65.07 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.335 0.654 . . . . 0.0 111.559 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.554 ' HG3' HD12 ' A' ' 60' ' ' ILE . 49.8 mt-10 -70.52 -29.37 65.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.901 0.88 . . . . 0.0 109.951 171.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.98 -24.04 76.72 Favored Glycine 0 C--N 1.348 1.228 0 O-C-N 123.753 0.658 . . . . 0.0 112.899 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.53 -49.31 19.06 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.239 0.616 . . . . 0.0 109.51 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.6 45.68 1.01 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.62 0.768 . . . . 0.0 109.937 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -72.49 138.05 46.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.016 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 98' ' ' HIS . 20.6 t-80 -162.86 144.31 10.02 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.29 0.994 . . . . 0.0 108.872 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -79.96 29.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -155.33 28.75 0.4 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.957 1.303 . . . . 0.0 107.969 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 95' ' ' HIS . 53.0 t-80 -151.06 18.92 0.77 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.478 1.111 . . . . 0.0 110.041 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 117.911 -1.043 . . . . 0.0 109.186 -172.456 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.41 155.34 75.4 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 123.548 0.739 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 40.3 Cg_endo -66.19 3.91 1.15 Allowed 'Trans proline' 0 C--N 1.374 1.883 0 C-N-CA 122.764 2.309 . . . . 0.0 113.651 172.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HA ' HH11 ' A' ' 9' ' ' ARG . 45.0 mm-40 -80.42 -26.91 38.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.393 0.677 . . . . 0.0 111.443 168.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.9 132.65 89.47 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.033 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -48.69 -55.7 3.86 Favored 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.93 3.087 . . . . 0.0 113.855 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.63 -39.59 88.83 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.841 0.457 . . . . 0.0 112.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -67.16 -47.72 70.17 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 123.272 0.358 . . . . 0.0 111.088 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.2 ptm180 -74.35 -27.05 60.5 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.147 0.579 . . . . 0.0 111.143 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.63 -53.1 56.81 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.671 0.789 . . . . 0.0 110.355 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.37 90.32 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.41 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.26 -34.19 76.9 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.142 0.977 . . . . 0.0 110.515 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.95 78.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.439 0.696 . . . . 0.0 110.328 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 17' ' ' LEU . 24.8 mt-30 -61.25 -33.7 73.94 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.058 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.43 -47.8 69.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.945 0.498 . . . . 0.0 109.811 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -56.86 -32.95 66.34 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.78 0.832 . . . . 0.0 111.783 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' GLN . 95.6 mt -60.26 -45.23 93.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.004 0.521 . . . . 0.0 111.268 175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -70.03 -34.97 73.95 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.156 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -86.78 13.95 7.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.188 0.995 . . . . 0.0 112.117 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 74.78 -9.46 1.34 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.95 1.3 . . . . 0.0 113.322 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.46 54.74 1.79 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.853 1.261 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.42 71.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.813 0.845 . . . . 0.0 111.467 -176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -59.4 -47.14 86.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.301 1.04 . . . . 0.0 112.512 172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -70.15 -33.03 71.27 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.262 0.625 . . . . 0.0 110.221 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.96 90.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.612 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.74 -48.09 78.41 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.428 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.86 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.434 1.084 . . . . 0.0 111.841 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD22 ' HB2' ' A' ' 9' ' ' ARG . 90.8 mt -61.71 -44.36 97.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.928 0.491 . . . . 0.0 111.996 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 32' ' ' LEU . 25.3 m-85 -66.13 -44.41 84.3 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 122.808 0.443 . . . . 0.0 110.743 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.12 -35.38 76.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.087 0.555 . . . . 0.0 111.788 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.3 -37.1 77.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.198 0.599 . . . . 0.0 110.165 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 29' ' ' PHE . 64.4 mt -61.29 -49.3 77.61 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.37 176.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.08 -55.53 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 124.084 0.865 . . . . 0.0 111.505 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.79 -40.42 96.61 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.1 p -79.79 -35.56 38.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.936 0.398 . . . . 0.0 111.759 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -141.18 95.48 7.44 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.756 0.822 . . . . 0.0 109.585 -170.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.05 -17.71 31.58 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.096 1.864 . . . . 0.0 112.264 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.5 -35.22 80.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.055 0.942 . . . . 0.0 111.281 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 0.9 OUTLIER -67.39 86.82 0.18 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.26 0.552 . . . . 0.0 110.528 -176.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 69' ' ' VAL . 59.7 t -67.5 -34.77 70.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 C-N-CA 123.888 0.875 . . . . 0.0 111.285 -176.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.44 -31.39 77.29 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.319 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -59.13 -50.14 75.21 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.396 0.678 . . . . 0.0 111.27 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -58.62 -45.31 89.5 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.99 0.806 . . . . 0.0 112.335 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -57.64 -50.6 72.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.664 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.94 -30.02 62.33 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.332 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 29' ' ' PHE . 46.0 tp -74.43 -38.4 63.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.527 0.731 . . . . 0.0 109.377 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.35 -42.4 65.48 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.868 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -62.16 -37.33 84.79 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.131 0.573 . . . . 0.0 110.337 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD22 HD21 ' A' ' 17' ' ' LEU . 26.1 tp -67.65 -41.82 83.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.102 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 6.6 m-85 -56.56 -45.12 81.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.15 0.58 . . . . 0.0 111.444 175.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -55.18 -42.87 73.76 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.283 0.633 . . . . 0.0 110.955 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.77 -34.86 76.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.88 11.48 7.6 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.657 0.783 . . . . 0.0 112.269 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 64.19 14.0 8.29 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.892 1.277 . . . . 0.0 112.544 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 23.2 mmm180 -95.51 51.24 1.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.641 1.176 . . . . 0.0 108.514 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 19.4 m -64.67 -33.46 75.99 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.245 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.53 -43.24 99.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.422 0.689 . . . . 0.0 110.555 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -40.82 98.75 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.861 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.46 76.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.956 0.903 . . . . 0.0 110.847 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 30.7 mm -56.78 -40.12 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 124.178 0.991 . . . . 0.0 110.423 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.65 -34.7 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.258 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -72.4 -37.45 68.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.416 0.686 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -69.71 -37.63 76.64 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 123.059 0.544 . . . . 0.0 110.155 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.84 80.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.976 0.91 . . . . 0.0 111.094 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -40.11 89.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.789 0.836 . . . . 0.0 110.78 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.59 -43.74 97.4 Favored Glycine 0 C--O 1.212 -1.242 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.769 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 110.841 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.02 -43.96 97.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.582 0.753 . . . . 0.0 110.961 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.581 HG23 HG22 ' A' ' 40' ' ' VAL . 20.6 m -84.61 -21.53 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.461 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.51 -41.6 60.39 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.078 0.551 . . . . 0.0 111.636 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.45 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 3.7 ptm180 -66.57 -39.07 88.3 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.304 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 21.4 mm-40 -89.4 -55.04 3.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.81 -40.9 12.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.576 0.75 . . . . 0.0 111.23 -171.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.39 -169.65 42.0 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.106 -0.398 . . . . 0.0 112.106 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -96.19 172.57 7.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 117.203 0.501 . . . . 0.0 109.747 175.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -63.61 -28.65 70.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.926 0.49 . . . . 0.0 110.843 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.94 -48.36 81.76 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.199 0.599 . . . . 0.0 109.904 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' HG11 ' A' ' 40' ' ' VAL . 39.0 m-20 -59.93 -46.09 90.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.617 0.767 . . . . 0.0 110.628 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.54 -48.68 74.33 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.234 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.426 ' HA ' HE21 ' A' ' 83' ' ' GLN . 49.0 m -66.9 -31.67 72.42 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.224 1.01 . . . . 0.0 111.495 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.64 -45.11 88.19 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.094 0.558 . . . . 0.0 110.967 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.21 -38.52 66.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.926 0.89 . . . . 0.0 112.23 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' A' ' 80' ' ' SER . 23.4 mt-30 -64.3 -48.13 76.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.599 0.76 . . . . 0.0 109.82 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.17 -44.55 97.14 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.28 0.987 . . . . 0.0 111.024 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.63 89.98 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.281 0.633 . . . . 0.0 112.101 -174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 20.8 ptmt -69.2 -40.46 78.04 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.693 -0.67 . . . . 0.0 112.184 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -65.98 -37.92 87.19 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.866 0.757 . . . . 0.0 110.821 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -76.12 -33.34 59.46 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.194 0.309 . . . . 0.0 110.959 177.111 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -64.12 -35.88 82.22 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.328 0.651 . . . . 0.0 112.576 176.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 54.6 mt-10 -58.28 -25.61 62.0 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.901 0.48 . . . . 0.0 111.238 173.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 94' ' ' HIS . . . -82.43 -24.1 54.87 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-O 119.184 -0.787 . . . . 0.0 113.748 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 96.8 mt -56.27 -43.54 78.89 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.469 0.707 . . . . 0.0 110.909 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.77 66.09 1.52 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.908 0.861 . . . . 0.0 109.77 171.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' HB2' ' HA2' ' A' ' 91' ' ' GLY . 57.0 t-80 -79.33 80.72 5.67 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.422 175.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -99.02 112.33 24.49 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -72.72 144.56 47.62 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -73.83 159.51 32.76 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 122.979 0.512 . . . . 0.0 109.98 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -68.75 -25.94 64.99 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 172.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 123.708 0.803 . . . . 0.0 109.132 172.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.587 0.232 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.34 132.14 88.03 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.519 0.727 . . . . 0.0 110.27 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.0 2.65 4.62 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.233 1.956 . . . . 0.0 112.019 173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.43 -31.24 37.59 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.184 0.994 . . . . 0.0 110.848 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.19 143.3 83.22 Favored Pre-proline 0 N--CA 1.485 1.282 0 C-N-CA 123.817 0.847 . . . . 0.0 111.878 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.2 -64.1 0.23 Allowed 'Trans proline' 0 C--N 1.389 2.672 0 C-N-CA 124.084 3.19 . . . . 0.0 115.028 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -63.23 -36.26 83.06 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.939 0.896 . . . . 0.0 111.299 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -64.7 -50.24 67.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.364 0.666 . . . . 0.0 110.789 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.426 HH21 ' HA ' ' A' ' 32' ' ' LEU . 8.9 ptt180 -74.16 -24.95 59.47 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.88 0.738 . . . . 0.0 111.509 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.21 -51.7 62.41 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.832 0.853 . . . . 0.0 110.331 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.44 78.34 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.159 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 69.7 tp -65.47 -38.88 91.1 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.449 1.099 . . . . 0.0 110.381 175.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.57 89.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.522 0.729 . . . . 0.0 110.541 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.16 -39.44 94.01 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.935 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.07 -42.7 95.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.413 0.685 . . . . 0.0 110.277 173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -61.28 -40.17 93.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.98 0.512 . . . . 0.0 111.266 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.23 -38.31 86.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.853 0.461 . . . . 0.0 110.832 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -69.72 -33.12 72.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.557 0.743 . . . . 0.0 111.191 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -91.59 14.79 14.01 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.716 0.806 . . . . 0.0 111.758 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 t70 70.53 4.67 5.06 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.737 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -84.35 62.43 7.19 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.801 1.24 . . . . 0.0 109.993 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -63.84 -41.46 97.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.087 0.955 . . . . 0.0 111.293 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -60.32 -39.77 88.2 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.135 0.974 . . . . 0.0 112.223 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -74.98 -38.98 61.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.232 0.613 . . . . 0.0 110.657 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.89 82.3 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.722 174.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.12 -51.17 70.21 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.602 1.189 . . . . 0.0 109.919 -176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.21 81.48 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.469 1.106 . . . . 0.0 112.588 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.75 -39.76 91.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 32' ' ' LEU . 27.4 m-85 -68.54 -42.08 78.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.712 0.405 . . . . 0.0 110.691 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.97 -34.43 77.5 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.173 0.589 . . . . 0.0 111.441 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.69 -41.47 98.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.888 0.875 . . . . 0.0 109.248 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 29' ' ' PHE . 80.1 mt -59.02 -46.35 88.41 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.043 177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.47 -58.05 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.076 0.551 . . . . 0.0 111.893 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HG3' HG23 ' A' ' 35' ' ' THR . 12.0 pt-20 -60.61 -38.64 85.41 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 34' ' ' GLU . 80.9 p -94.52 -31.95 13.7 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.54 71.01 82.5 Favored Pre-proline 0 N--CA 1.485 1.323 0 C-N-CA 124.035 0.934 . . . . 0.0 108.876 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.0 Cg_endo -71.7 -0.14 7.87 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.432 2.088 . . . . 0.0 113.715 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -99.19 -17.77 17.98 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.7 0.8 . . . . 0.0 111.302 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -71.14 100.81 2.13 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.341 0.591 . . . . 0.0 110.27 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 69' ' ' VAL . 20.3 t -69.99 -36.52 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.048 -171.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.51 -28.85 62.88 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 123.712 0.633 . . . . 0.0 113.079 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -56.64 -57.63 11.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.282 1.033 . . . . 0.0 111.643 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -59.94 -38.56 82.76 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.699 1.249 . . . . 0.0 113.053 -165.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 55.2 t80 -57.15 -65.16 0.67 Allowed 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.209 0.318 . . . . 0.0 111.01 172.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -63.44 -31.24 72.34 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.758 0.823 . . . . 0.0 113.087 -173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 49.5 tp -72.45 -41.45 66.09 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.307 0.643 . . . . 0.0 110.088 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.67 -42.19 88.02 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.7 mmmp? -59.11 -39.48 82.41 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.486 0.714 . . . . 0.0 109.742 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD11 ' HB1' ' A' ' 22' ' ' ALA . 19.1 tp -67.46 -40.46 85.37 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.244 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.77 -42.78 84.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.856 0.462 . . . . 0.0 111.63 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.74 -36.76 77.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.566 0.346 . . . . 0.0 111.409 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 83.9 mtt180 -62.1 -38.39 88.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.787 0.835 . . . . 0.0 110.636 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.7 mt -84.68 8.74 15.92 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.199 1.0 . . . . 0.0 112.087 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 61.01 18.8 9.28 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 125.284 1.434 . . . . 0.0 111.917 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.62 50.86 1.77 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.637 1.175 . . . . 0.0 108.488 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 60' ' ' ILE . 28.6 m -61.5 -32.16 72.19 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.398 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.87 -46.61 81.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.833 0.853 . . . . 0.0 110.729 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -64.06 -32.9 74.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.406 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.56 72.33 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.467 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 56' ' ' THR . 50.3 mm -53.27 -44.53 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.974 0.91 . . . . 0.0 110.88 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.6 -49.65 75.77 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.835 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.9 m -64.69 -32.49 74.19 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.913 0.885 . . . . 0.0 111.713 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 24.6 m-85 -71.7 -41.72 68.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.92 0.488 . . . . 0.0 110.164 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.0 89.46 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.758 0.823 . . . . 0.0 111.142 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -43.31 99.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.196 0.999 . . . . 0.0 109.996 172.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.98 Favored Glycine 0 C--O 1.212 -1.219 0 CA-C-N 114.026 -1.443 . . . . 0.0 113.454 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.04 -43.7 76.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.244 1.017 . . . . 0.0 111.515 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -58.95 -47.02 86.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.798 0.839 . . . . 0.0 110.708 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 40' ' ' VAL . 29.7 m -84.68 -20.39 8.54 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.205 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.68 -44.15 57.4 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 118.586 0.63 . . . . 0.0 111.554 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.717 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 34.5 ptt180 -63.45 -46.5 85.97 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.982 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.717 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 40.6 mt-10 -89.88 -54.71 3.93 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.68 -44.67 15.43 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.343 0.657 . . . . 0.0 111.492 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.42 -160.43 36.47 Favored Glycine 0 N--CA 1.473 1.116 0 O-C-N 123.308 0.38 . . . . 0.0 112.22 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -106.54 -179.97 4.1 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.156 0.582 . . . . 0.0 110.645 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.95 -29.8 71.07 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.629 0.772 . . . . 0.0 111.586 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -55.45 -48.65 74.14 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.992 0.917 . . . . 0.0 110.799 177.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 m-20 -62.07 -47.98 82.24 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.989 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.24 -48.97 78.72 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.054 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -58.44 -44.97 89.38 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.354 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.7 -34.51 67.19 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.817 0.847 . . . . 0.0 112.372 -174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.01 -37.98 64.23 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.788 0.435 . . . . 0.0 111.541 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -65.18 -42.18 93.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.435 0.694 . . . . 0.0 109.8 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.67 -41.53 92.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.219 1.008 . . . . 0.0 111.619 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.58 70.87 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.127 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 21.1 ptmt -71.04 -38.25 72.55 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.003 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -34.95 74.35 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.389 0.54 . . . . 0.0 111.05 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -29.28 60.21 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 122.487 -0.133 . . . . 0.0 110.673 174.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -70.11 -26.67 64.08 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.117 0.567 . . . . 0.0 112.021 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 68.3 mm-40 -61.67 -40.56 95.38 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 167.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.61 -25.75 73.86 Favored Glycine 0 C--N 1.354 1.577 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.676 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 83.9 mt -62.26 -50.45 71.65 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 44.3 mt-10 -95.97 18.65 12.92 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.685 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.22 102.18 3.01 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.975 0.51 . . . . 0.0 110.248 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 t60 74.52 3.39 4.27 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.678 1.591 . . . . 0.0 111.529 -174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.605 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . 49.5 m-70 -92.24 109.02 20.39 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 67.9 24.76 7.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.443 1.097 . . . . 0.0 110.454 -170.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -138.48 140.65 39.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.754 1.222 . . . . 0.0 109.096 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 CA--C 1.559 1.323 0 C-N-CA 123.249 0.62 . . . . 0.0 110.152 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -124.15 154.85 68.47 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 109.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 69.2 Cg_exo -54.84 -10.02 2.31 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 123.281 2.654 . . . . 0.0 114.218 170.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -65.33 -40.65 93.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 170.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.0 134.97 96.22 Favored Pre-proline 0 N--CA 1.481 1.092 0 C-N-CA 123.75 0.82 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.94 -57.22 2.19 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 124.351 3.367 . . . . 0.0 114.102 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.49 -39.13 93.63 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.582 0.551 . . . . 0.0 112.287 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -65.06 -47.79 76.08 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.746 0.248 . . . . 0.0 111.638 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -71.24 -27.36 63.41 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.9 0.48 . . . . 0.0 110.769 178.505 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -68.42 -47.14 68.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.287 1.035 . . . . 0.0 111.102 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.19 76.29 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.514 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 tp -67.77 -34.99 77.89 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.411 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.4 96.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.32 0.648 . . . . 0.0 110.214 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 77.5 mt-30 -64.41 -34.92 79.31 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.156 0.583 . . . . 0.0 111.133 174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.7 -39.56 91.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.954 0.502 . . . . 0.0 110.743 174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 94.8 m-70 -62.26 -42.26 99.18 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.572 0.349 . . . . 0.0 110.998 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 49' ' ' LEU . 84.7 mt -58.32 -46.78 85.52 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.145 0.578 . . . . 0.0 111.702 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -75.45 -18.49 59.86 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.478 0.311 . . . . 0.0 111.766 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -86.9 4.03 43.13 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.22 0.608 . . . . 0.0 111.346 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 t70 69.43 6.48 5.71 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 125.298 1.439 . . . . 0.0 112.374 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.64 63.52 5.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.635 1.174 . . . . 0.0 109.938 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -62.65 -39.72 94.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 111.861 -176.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -61.33 -40.26 93.56 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.379 0.672 . . . . 0.0 111.965 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -69.92 -40.48 75.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.457 0.703 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . . . -64.31 -39.15 93.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.721 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.22 -48.51 79.67 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.615 1.197 . . . . 0.0 109.335 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.0 69.48 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.979 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.14 -39.58 93.22 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.619 0.574 . . . . 0.0 112.39 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HB2' HD13 ' A' ' 46' ' ' LEU . 27.4 m-85 -71.04 -43.85 67.0 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.695 0.398 . . . . 0.0 111.202 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.21 -40.48 90.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.442 0.697 . . . . 0.0 111.079 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.16 -31.14 67.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.303 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.78 -42.48 95.04 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.8 0.84 . . . . 0.0 111.131 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.67 -50.8 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 122.859 0.463 . . . . 0.0 110.885 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HG3' HG23 ' A' ' 35' ' ' THR . 10.4 pt-20 -64.71 -46.62 81.52 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 34' ' ' GLU . 76.0 p -82.81 -34.13 27.04 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -131.95 73.94 77.68 Favored Pre-proline 0 N--CA 1.487 1.391 0 C-N-CA 124.298 1.039 . . . . 0.0 109.712 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.93 -20.46 51.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.222 1.948 . . . . 0.0 112.45 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -72.55 -27.87 62.48 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 111.396 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -70.47 92.02 0.8 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-O 121.325 0.583 . . . . 0.0 110.138 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HG23 ' A' ' 69' ' ' VAL . 46.4 t -64.59 -33.15 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.66 -32.89 65.93 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.209 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -57.36 -52.57 64.84 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.928 0.891 . . . . 0.0 111.362 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.82 -41.46 86.89 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.36 1.038 . . . . 0.0 112.62 -168.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 58.4 t80 -55.31 -65.9 0.51 Allowed 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.632 0.583 . . . . 0.0 110.882 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.29 -31.93 70.71 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.656 0.782 . . . . 0.0 112.913 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 29' ' ' PHE . 25.4 tp -70.31 -43.05 71.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 110.139 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.17 -34.83 61.03 Favored Glycine 0 C--N 1.344 1.009 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.4 mmmm -62.47 -40.56 97.04 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 109.591 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' ' 22' ' ' ALA . 22.0 tp -67.69 -40.74 84.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.79 177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.1 -41.03 91.65 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.229 0.612 . . . . 0.0 111.308 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.94 -38.62 76.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.107 0.563 . . . . 0.0 111.167 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -72.36 -34.47 68.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.062 0.945 . . . . 0.0 111.567 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 68.3 mt -85.59 9.3 16.45 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.542 0.737 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.03 16.25 3.67 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.307 1.443 . . . . 0.0 112.395 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -84.99 55.56 3.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.835 1.254 . . . . 0.0 107.988 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 60' ' ' ILE . 40.5 m -65.08 -36.89 85.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.531 1.132 . . . . 0.0 110.93 -172.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.3 -41.6 97.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.747 0.819 . . . . 0.0 110.439 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.31 -39.14 85.88 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.46 77.58 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.978 0.799 . . . . 0.0 110.421 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 56' ' ' THR . 40.1 mm -58.04 -41.49 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.661 0.784 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.37 -43.84 84.8 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.105 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 m -66.4 -43.9 84.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.674 0.79 . . . . 0.0 110.76 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.7 m-85 -64.59 -40.54 95.71 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.899 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.14 82.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.0 111.47 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.18 83.78 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.844 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -60.95 -42.95 99.91 Favored Glycine 0 C--O 1.21 -1.351 0 CA-C-N 114.309 -1.314 . . . . 0.0 113.703 175.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 63' ' ' TYR . 94.7 mt -57.5 -39.78 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.171 0.989 . . . . 0.0 111.054 -176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.39 -49.59 76.28 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.315 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.98 -19.89 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.559 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.37 61.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.145 0.578 . . . . 0.0 111.634 -175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.27 -37.78 86.25 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.842 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.61 -54.22 4.17 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.68 -39.26 17.44 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.419 0.687 . . . . 0.0 112.399 -171.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.82 -161.93 36.58 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.7 p -99.63 175.71 5.73 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.006 0.522 . . . . 0.0 110.393 173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.13 -25.72 67.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.122 0.569 . . . . 0.0 110.987 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 85.0 tttt -60.44 -50.53 73.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.22 0.608 . . . . 0.0 110.053 175.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB3' HG11 ' A' ' 40' ' ' VAL . 14.1 m-20 -62.19 -40.99 97.9 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.017 0.823 . . . . 0.0 110.367 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.59 -49.75 73.98 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.203 174.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 t -64.94 -34.29 78.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.238 1.015 . . . . 0.0 111.528 -177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 22.4 mm-40 -66.65 -46.27 76.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.064 0.546 . . . . 0.0 111.057 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' HA3' ' A' ' 66' ' ' GLY . 61.1 mt -74.0 -33.73 63.91 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.828 -174.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.22 -45.65 76.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.25 0.62 . . . . 0.0 109.895 173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.92 -44.1 97.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.769 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.92 85.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.185 -171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HE3' HG23 ' A' ' 60' ' ' ILE . 22.3 ptmt -69.35 -41.8 76.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 119.129 -0.462 . . . . 0.0 112.111 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.67 -34.26 76.56 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 118.613 0.642 . . . . 0.0 111.307 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -34.76 57.73 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.77 -32.44 69.29 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.408 0.683 . . . . 0.0 112.536 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.98 -26.86 4.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.17 0.988 . . . . 0.0 112.962 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.54 18.32 57.3 Favored Glycine 0 C--N 1.348 1.195 0 CA-C-O 119.789 -0.451 . . . . 0.0 114.166 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -91.87 -80.57 0.35 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 117.453 0.626 . . . . 0.0 111.773 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.85 -46.67 88.54 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.276 0.63 . . . . 0.0 111.578 -170.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -149.27 128.7 13.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.699 1.2 . . . . 0.0 108.17 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -72.36 99.11 2.36 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 168.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -44.35 96.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.267 1.427 . . . . 0.0 113.322 -163.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -114.89 96.19 5.59 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.837 -1.529 . . . . 0.0 107.047 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -84.33 93.97 8.36 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.383 173.586 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -79.78 151.33 73.74 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.451 0.701 . . . . 0.0 110.313 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.82 5.76 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.749 2.299 . . . . 0.0 113.903 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.54 -32.86 36.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.335 1.054 . . . . 0.0 110.605 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.83 126.38 92.29 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 123.87 0.868 . . . . 0.0 109.641 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 82.7 Cg_exo -49.09 -54.44 5.45 Favored 'Trans proline' 0 C--N 1.385 2.495 0 C-N-CA 124.065 3.177 . . . . 0.0 114.727 -170.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.57 -33.18 75.31 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.752 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -61.4 -55.21 33.95 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -70.42 -27.54 64.35 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 117.659 0.209 . . . . 0.0 110.912 -179.643 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -63.83 -53.05 56.79 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.049 0.94 . . . . 0.0 110.657 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 15' ' ' GLU . . . -67.6 -39.93 84.75 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.083 0.953 . . . . 0.0 110.308 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.72 -37.71 87.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.333 1.053 . . . . 0.0 110.402 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.19 96.75 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.055 0.847 . . . . 0.0 110.63 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.93 -29.96 71.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.529 0.731 . . . . 0.0 111.341 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 48.6 mt-10 -72.6 -42.79 64.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.362 0.665 . . . . 0.0 110.232 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 21' ' ' ASN . 81.1 m-70 -58.36 -36.66 73.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.563 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD21 HD22 ' A' ' 49' ' ' LEU . 86.9 mt -58.04 -39.48 78.53 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 0.0 111.172 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -77.69 -33.84 53.09 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.249 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.04 16.32 6.2 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.786 0.834 . . . . 0.0 112.938 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 t70 71.93 -0.57 3.16 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 124.525 1.13 . . . . 0.0 112.636 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 19.8 m120 -87.76 53.87 2.92 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.363 1.065 . . . . 0.0 110.454 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.78 -34.21 77.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.352 0.661 . . . . 0.0 112.156 -174.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.3 t -65.7 -31.59 72.67 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -73.73 -33.98 64.57 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.883 0.373 . . . . 0.0 110.223 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.62 93.31 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.143 174.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.67 -47.51 85.0 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.173 -1.376 . . . . 0.0 108.752 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.4 95.93 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.583 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.95 -32.48 72.09 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' HB2' HD13 ' A' ' 46' ' ' LEU . 25.4 m-85 -71.7 -38.06 70.61 Favored 'General case' 0 CA--C 1.554 1.104 0 O-C-N 123.346 0.404 . . . . 0.0 110.24 172.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.93 -24.66 64.31 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 122.898 0.479 . . . . 0.0 111.551 173.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -71.1 -42.28 69.49 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.996 1.318 . . . . 0.0 108.756 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 29' ' ' PHE . 20.4 mt -59.17 -48.92 79.81 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.11 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 29' ' ' PHE . 95.1 t -59.99 -51.59 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 122.829 0.451 . . . . 0.0 111.576 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 35' ' ' THR . 11.7 pt-20 -63.42 -41.41 98.7 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.618 HG23 ' HG3' ' A' ' 34' ' ' GLU . 69.5 p -97.37 -37.22 10.11 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.471 0.578 . . . . 0.0 112.161 -173.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -129.1 71.19 81.99 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.809 1.244 . . . . 0.0 109.192 -173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -69.75 -10.61 28.98 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.242 2.628 . . . . 0.0 112.883 -172.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.16 -26.96 39.09 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.135 0.974 . . . . 0.0 111.009 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -66.08 99.89 0.55 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.181 0.592 . . . . 0.0 109.923 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 78' ' ' ASP . 67.4 t -67.83 -35.15 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.376 1.071 . . . . 0.0 111.794 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.51 64.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.567 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.2 m -54.5 -59.29 4.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.181 0.992 . . . . 0.0 111.785 173.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -62.9 -40.54 97.88 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.59 1.181 . . . . 0.0 112.666 -164.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 18.6 t80 -57.49 -61.33 2.57 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 123.846 0.717 . . . . 0.0 111.217 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -63.22 -33.29 75.17 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.669 0.788 . . . . 0.0 112.479 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 29' ' ' PHE . 32.3 tp -70.26 -42.14 72.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.886 . . . . 0.0 110.099 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.56 -39.96 86.44 Favored Glycine 0 C--N 1.345 1.066 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.059 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 14.3 mmmm -58.1 -40.56 81.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.327 0.651 . . . . 0.0 110.094 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' HB1' ' A' ' 22' ' ' ALA . 24.8 tp -71.59 -36.5 70.88 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.189 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -57.37 -46.08 83.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.766 0.426 . . . . 0.0 111.266 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -56.18 -36.79 68.76 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.499 0.72 . . . . 0.0 111.448 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -67.48 -35.24 78.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.889 0.875 . . . . 0.0 111.594 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.2 mt -90.36 19.59 5.08 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.204 0.601 . . . . 0.0 112.093 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.18 10.73 5.73 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.507 1.123 . . . . 0.0 112.617 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -94.44 48.01 1.21 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.767 1.227 . . . . 0.0 109.043 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' ILE . 3.1 m -62.44 -34.41 76.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 111.23 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.03 -46.25 88.44 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.859 0.864 . . . . 0.0 110.533 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.1 -34.8 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.85 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.41 -48.45 81.7 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.326 1.016 . . . . 0.0 110.547 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 56' ' ' THR . 37.1 mm -54.34 -45.71 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 C-N-CA 123.897 0.879 . . . . 0.0 110.394 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.94 -42.39 85.38 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.251 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.1 m -66.85 -40.11 87.81 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.302 0.641 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 67' ' ' ILE . 25.3 m-85 -64.96 -38.93 92.6 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.365 0.666 . . . . 0.0 110.855 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.77 88.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.519 0.728 . . . . 0.0 111.482 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -39.64 88.25 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.22 -42.06 99.67 Favored Glycine 0 C--O 1.21 -1.365 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.56 174.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' TYR . 53.4 mt -58.16 -43.29 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.304 1.042 . . . . 0.0 110.726 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 42.4 mt-10 -63.24 -45.35 92.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.415 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.494 HG23 HG22 ' A' ' 40' ' ' VAL . 19.7 m -81.4 -19.46 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.377 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.3 -42.19 62.67 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.047 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.21 -26.88 56.55 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.968 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 26.7 mm-40 -87.98 -54.18 4.36 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 117.821 0.282 . . . . 0.0 111.511 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.56 -50.22 6.05 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.028 0.931 . . . . 0.0 112.356 -174.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.15 -171.79 48.17 Favored Glycine 0 C--N 1.348 1.248 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.522 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -94.81 174.71 6.96 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 117.269 0.535 . . . . 0.0 110.276 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -60.6 -30.45 69.84 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.529 0.732 . . . . 0.0 110.844 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 87.2 tttt -56.6 -49.73 74.05 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.015 0.926 . . . . 0.0 110.624 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.552 ' HB3' HG11 ' A' ' 40' ' ' VAL . 19.8 m-20 -62.4 -45.46 93.01 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.186 0.994 . . . . 0.0 111.018 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.7 tp -57.62 -43.82 85.08 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.919 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.1 m -67.29 -32.68 73.83 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.721 0.808 . . . . 0.0 111.866 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 35.3 mm-40 -67.93 -47.27 69.18 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.946 0.498 . . . . 0.0 111.095 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.09 -37.82 78.64 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.921 0.889 . . . . 0.0 111.926 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -65.4 -48.73 71.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.422 0.689 . . . . 0.0 110.133 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.61 -42.16 98.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.572 0.749 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . . . -64.28 -46.85 81.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.894 -173.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.5 -39.22 77.74 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.801 0.688 . . . . 0.0 112.549 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 88' ' ' LYS . 4.4 pp -68.43 -39.09 81.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.636 0.653 . . . . 0.0 110.926 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.484 ' NZ ' ' HA ' ' A' ' 85' ' ' ALA . 22.0 pttm -76.82 -30.1 56.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.32 0.248 . . . . 0.0 111.557 176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.68 75.01 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.036 0.534 . . . . 0.0 111.941 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -64.99 -24.29 67.47 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.681 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.19 -28.81 57.6 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-O 119.052 -0.86 . . . . 0.0 113.694 171.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.65 -45.27 77.7 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 117.865 0.832 . . . . 0.0 110.081 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -132.63 98.84 4.45 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -74.53 77.55 1.96 Allowed 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -138.84 138.56 37.6 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.201 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.82 137.21 49.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.584 0.753 . . . . 0.0 110.725 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -77.65 -9.51 59.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.036 0.535 . . . . 0.0 110.628 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -151.36 132.36 14.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.485 1.114 . . . . 0.0 108.167 167.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.031 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.25 141.86 86.49 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 124.147 0.979 . . . . 0.0 109.328 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.559 ' HA ' HG21 ' A' ' 8' ' ' THR . 53.9 Cg_exo -42.3 -38.38 5.6 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 123.648 2.899 . . . . 0.0 115.31 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -78.29 -14.88 59.23 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -56.45 138.64 75.41 Favored Pre-proline 0 N--CA 1.481 1.114 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.61 -41.4 71.45 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.825 2.35 . . . . 0.0 112.35 -175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.11 -36.09 80.7 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.218 0.949 . . . . 0.0 111.815 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.559 HG21 ' HA ' ' A' ' 3' ' ' PRO . 3.1 m -60.25 -57.34 13.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.855 0.462 . . . . 0.0 111.732 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -25.7 60.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.205 0.602 . . . . 0.0 111.635 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.82 -53.47 46.28 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.117 0.967 . . . . 0.0 111.006 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -33.53 69.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.921 0.888 . . . . 0.0 110.811 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.27 -37.11 84.68 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.595 0.758 . . . . 0.0 110.447 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.27 94.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.58 0.752 . . . . 0.0 110.504 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 17' ' ' LEU . 99.0 mt-30 -63.91 -35.22 79.94 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.897 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -65.57 -39.99 92.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.051 0.541 . . . . 0.0 110.633 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.19 -43.29 96.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.818 0.699 . . . . 0.0 110.912 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 14' ' ' GLN . 85.4 mt -57.5 -41.54 80.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.641 0.776 . . . . 0.0 111.615 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -70.84 -33.34 70.56 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.963 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -85.18 5.68 29.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.932 0.893 . . . . 0.0 112.644 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t70 79.6 -2.94 2.1 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.294 1.438 . . . . 0.0 112.606 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -80.35 62.79 4.6 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.732 1.213 . . . . 0.0 110.978 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -64.58 -33.96 77.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.473 0.709 . . . . 0.0 110.835 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 p -59.15 -44.88 92.11 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.609 1.164 . . . . 0.0 112.307 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -70.74 -38.81 73.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.59 94.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.872 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.21 -50.33 72.21 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.284 -176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.19 87.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.588 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.05 -38.07 85.19 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 21.7 m-85 -68.24 -42.4 79.75 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 120.821 0.343 . . . . 0.0 110.101 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.66 -35.87 77.31 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.684 0.394 . . . . 0.0 111.267 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.32 -45.61 92.44 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.086 0.866 . . . . 0.0 109.492 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 mt -56.53 -45.34 81.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.916 0.887 . . . . 0.0 112.285 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.27 -54.85 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 123.978 0.799 . . . . 0.0 111.282 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -31.9 72.84 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -90.19 -28.78 18.67 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.127 0.421 . . . . 0.0 111.563 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -141.51 93.15 7.9 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' O ' HG11 ' A' ' 69' ' ' VAL . 75.5 Cg_endo -81.9 16.41 1.74 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.68 2.253 . . . . 0.0 114.068 -171.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.581 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 6.8 p-10 -128.8 -4.84 5.16 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.23 93.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 69' ' ' VAL . 34.4 t -63.59 -36.1 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.77 1.228 . . . . 0.0 111.936 -169.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.14 67.93 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.464 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -59.23 -54.8 42.77 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.303 0.641 . . . . 0.0 111.536 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -56.81 -38.82 73.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 124.651 1.22 . . . . 0.0 112.42 -166.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 43.8 t80 -55.25 -68.01 0.23 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.794 0.684 . . . . 0.0 111.171 171.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -63.78 -30.55 71.63 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 35.0 tp -71.43 -43.12 67.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.545 0.738 . . . . 0.0 109.835 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -70.53 -39.58 68.33 Favored Glycine 0 C--N 1.343 0.943 0 O-C-N 123.928 0.767 . . . . 0.0 111.547 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 3.4 mmmp? -62.77 -35.55 80.19 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.679 0.792 . . . . 0.0 109.583 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.558 HD11 ' HB1' ' A' ' 22' ' ' ALA . 23.1 tp -71.04 -39.73 72.12 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.196 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -59.14 -41.5 88.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.135 0.574 . . . . 0.0 110.911 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -60.89 -38.59 86.17 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.1 0.56 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -68.84 -35.66 77.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.912 0.485 . . . . 0.0 111.229 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.26 10.09 20.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.618 0.767 . . . . 0.0 111.831 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.7 t70 61.29 17.63 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.68 1.192 . . . . 0.0 112.519 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -91.67 55.77 2.81 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.805 1.242 . . . . 0.0 109.304 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB1' ' A' ' 89' ' ' ALA . 91.9 m -62.38 -37.09 84.37 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.922 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -42.0 80.36 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 121.453 0.644 . . . . 0.0 110.834 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.9 -37.08 70.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.718 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.29 65.99 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.563 0.745 . . . . 0.0 110.674 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 56' ' ' THR . 30.0 mm -58.62 -38.94 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 124.008 0.923 . . . . 0.0 110.621 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.35 -47.54 81.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 0.0 110.979 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.2 m -66.73 -35.88 81.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.901 0.88 . . . . 0.0 110.993 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' HG13 ' A' ' 67' ' ' ILE . 26.8 m-85 -73.35 -40.96 64.01 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 118.878 -0.582 . . . . 0.0 110.652 177.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.39 85.46 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.722 0.809 . . . . 0.0 111.309 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -42.38 99.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.745 0.818 . . . . 0.0 110.843 172.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.11 -42.11 98.38 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 114.601 -1.182 . . . . 0.0 113.626 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.476 HG23 HD11 ' A' ' 79' ' ' LEU . 80.3 mt -58.47 -46.87 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 111.769 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.81 -46.4 78.08 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.448 1.092 . . . . 0.0 110.603 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 HG22 ' A' ' 40' ' ' VAL . 16.4 m -85.54 -20.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.663 -176.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.49 -46.53 38.92 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.158 0.583 . . . . 0.0 110.956 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.9 -37.67 88.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.65 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.51 -54.64 3.91 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.581 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 12.5 mm-40 -91.72 -44.35 9.05 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.505 0.722 . . . . 0.0 111.633 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.21 -153.07 28.11 Favored Glycine 0 N--CA 1.474 1.211 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 p -112.88 171.83 7.3 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.791 0.795 . . . . 0.0 111.128 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.06 -26.17 67.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.7 0.8 . . . . 0.0 111.047 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -54.67 -49.99 69.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.442 0.697 . . . . 0.0 109.898 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.66 -45.96 80.98 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.898 -1.047 . . . . 0.0 109.674 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 67' ' ' ILE . 47.0 tp -57.74 -39.84 78.26 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.252 0.97 . . . . 0.0 111.54 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.5 m -67.38 -39.85 85.65 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.763 0.825 . . . . 0.0 110.628 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 54.2 mm-40 -64.9 -43.58 92.4 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.926 0.766 . . . . 0.0 111.825 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.22 -45.57 66.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.354 0.662 . . . . 0.0 111.429 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.72 -39.2 93.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.868 0.867 . . . . 0.0 111.324 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.87 -51.16 58.79 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.866 0.467 . . . . 0.0 111.073 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.79 92.6 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.799 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -68.44 -44.88 73.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 118.868 -0.587 . . . . 0.0 111.73 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.27 -33.1 73.74 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.639 0.654 . . . . 0.0 111.255 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -32.28 61.71 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -72.58 -25.66 61.42 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.301 0.64 . . . . 0.0 110.895 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.82 -36.9 83.43 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 167.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.6 -14.16 9.01 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 114.18 0.432 . . . . 0.0 114.18 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.23 -66.89 0.87 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.108 0.963 . . . . 0.0 110.777 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.34 -23.12 21.22 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -63.4 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.365 0.666 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -71.98 79.17 0.91 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 165.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -68.02 124.74 24.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.939 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -77.27 -55.38 5.46 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -167.74 138.43 2.85 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.011 0.924 . . . . 0.0 109.134 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m80 . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 172.33 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.51 150.27 54.41 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 123.836 0.854 . . . . 0.0 109.646 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 65.0 Cg_endo -80.77 25.92 0.61 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.926 2.417 . . . . 0.0 113.906 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.53 -28.29 69.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.291 0.636 . . . . 0.0 111.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.95 137.28 97.06 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 123.332 0.653 . . . . 0.0 110.528 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.48 -50.02 14.85 Favored 'Trans proline' 0 C--N 1.388 2.628 0 C-N-CA 123.478 2.785 . . . . 0.0 113.3 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -63.61 -36.26 83.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.486 0.714 . . . . 0.0 112.098 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -73.54 -43.67 59.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 122.403 0.281 . . . . 0.0 111.376 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 3' ' ' PRO . 7.2 ptm180 -73.42 -26.25 60.88 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.082 0.553 . . . . 0.0 110.521 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.06 -49.99 67.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.302 1.041 . . . . 0.0 110.47 173.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.71 77.69 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.99 -35.07 76.3 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.663 0.785 . . . . 0.0 110.287 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.92 95.81 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.295 0.638 . . . . 0.0 110.056 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 17' ' ' LEU . 94.7 mt-30 -65.13 -30.5 71.44 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.333 175.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.85 -44.29 73.67 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 122.689 0.395 . . . . 0.0 110.504 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -62.08 -32.49 73.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.762 0.425 . . . . 0.0 111.246 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 14' ' ' GLN . 89.7 mt -58.17 -53.81 54.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.021 0.528 . . . . 0.0 110.634 174.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -74.01 -18.57 60.83 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.736 0.414 . . . . 0.0 111.448 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -91.48 18.94 6.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.283 0.633 . . . . 0.0 112.339 173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.6 t70 75.06 -9.56 1.36 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.748 1.219 . . . . 0.0 112.937 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -85.77 59.17 5.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.258 1.023 . . . . 0.0 109.722 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -66.41 -36.64 83.34 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.445 0.698 . . . . 0.0 110.566 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -63.91 -36.95 85.63 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.328 1.051 . . . . 0.0 112.412 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -75.33 -37.46 60.7 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.236 0.614 . . . . 0.0 110.46 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.24 76.91 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.606 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.46 -49.98 75.38 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 124.457 1.098 . . . . 0.0 108.901 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.19 78.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.331 1.052 . . . . 0.0 112.488 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.99 -42.2 97.26 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.067 0.547 . . . . 0.0 112.45 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB2' HD13 ' A' ' 46' ' ' LEU . 33.2 m-85 -68.57 -43.36 76.75 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 122.8 0.44 . . . . 0.0 111.073 178.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.03 -31.75 73.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.581 0.752 . . . . 0.0 111.021 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 35' ' ' THR . 44.5 tt0 -71.21 -37.57 72.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.414 0.686 . . . . 0.0 109.691 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.19 -38.65 87.29 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.308 0.643 . . . . 0.0 111.496 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.48 -53.61 46.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.081 0.553 . . . . 0.0 111.204 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.05 -37.14 85.09 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' GLU . 12.7 t -88.92 -37.37 15.32 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.777 -0.577 . . . . 0.0 111.771 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.6 78.48 75.38 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 123.886 0.874 . . . . 0.0 109.038 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' O ' HG11 ' A' ' 69' ' ' VAL . 7.3 Cg_exo -72.07 -5.58 17.38 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.593 2.195 . . . . 0.0 112.611 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.544 ' HB3' ' HG3' ' A' ' 73' ' ' GLU . 4.1 m-20 -107.53 24.92 12.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.487 1.115 . . . . 0.0 110.74 -176.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.17 97.09 6.65 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 78' ' ' ASP . 99.1 t -63.31 -39.54 85.67 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 C-N-CA 124.729 1.211 . . . . 0.0 111.986 -170.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -31.83 75.88 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.118 0.886 . . . . 0.0 112.789 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.04 -53.54 56.97 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 110.651 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -61.63 -41.33 97.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.918 0.761 . . . . 0.0 112.777 -170.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HA ' ' HE1' ' A' ' 63' ' ' TYR . 37.3 t80 -57.0 -61.17 2.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.789 0.435 . . . . 0.0 111.937 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -69.75 -27.98 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.784 0.833 . . . . 0.0 112.827 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 29' ' ' PHE . 37.1 tp -74.22 -40.92 62.13 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.651 0.78 . . . . 0.0 109.91 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.51 -32.51 67.79 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.563 0.539 . . . . 0.0 111.89 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -64.26 -41.78 96.79 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.068 0.947 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 22' ' ' ALA . 25.2 tp -65.89 -38.37 88.57 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.918 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 13.4 m-85 -61.47 -44.22 97.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.272 0.629 . . . . 0.0 111.274 174.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.77 -37.77 79.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.9 0.48 . . . . 0.0 111.244 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -66.73 -39.23 87.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.73 14.08 7.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.648 0.779 . . . . 0.0 112.314 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.5 t70 64.27 11.83 6.68 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.071 1.349 . . . . 0.0 112.53 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 27.1 mmm180 -90.74 67.17 6.25 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.189 0.995 . . . . 0.0 110.147 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 60' ' ' ILE . 56.7 m -63.56 -40.59 97.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.756 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.27 -46.03 86.78 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.374 0.606 . . . . 0.0 110.648 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.44 -45.89 91.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.374 -1.284 . . . . 0.0 110.681 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -53.13 61.55 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.27 0.981 . . . . 0.0 111.333 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 56' ' ' THR . 23.7 mm -61.38 -40.42 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 123.308 0.643 . . . . 0.0 111.076 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.8 -35.67 72.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.1 m -69.5 -40.31 77.07 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.914 0.886 . . . . 0.0 110.967 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 34.2 m-85 -66.21 -39.77 89.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.05 0.54 . . . . 0.0 110.836 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.77 99.35 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -44.1 97.61 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.505 0.722 . . . . 0.0 110.772 173.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.51 -40.26 96.02 Favored Glycine 0 C--O 1.215 -1.082 0 CA-C-N 114.721 -1.127 . . . . 0.0 113.267 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 79' ' ' LEU . 39.4 mt -55.74 -44.51 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.474 1.11 . . . . 0.0 111.583 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.99 -45.45 93.59 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.912 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 37' ' ' PRO . 26.4 m -83.83 -19.16 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.922 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -45.33 59.4 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.629 . . . . 0.0 111.289 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 16.2 ptt180 -65.39 -30.59 71.42 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.543 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 49.9 mt-10 -89.7 -53.72 4.39 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.25 0.62 . . . . 0.0 112.508 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 38' ' ' ASP . 14.9 mm-40 -82.7 -51.79 7.38 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.388 0.675 . . . . 0.0 111.972 -174.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.87 -159.66 35.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -98.74 -179.48 4.31 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.906 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -68.68 -17.58 64.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.769 0.428 . . . . 0.0 110.668 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.26 -49.52 71.53 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.722 0.809 . . . . 0.0 110.55 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.4 m-20 -56.66 -48.03 78.49 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.228 1.011 . . . . 0.0 110.47 176.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 67' ' ' ILE . 61.0 tp -57.93 -45.72 86.13 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.952 177.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.1 t -60.9 -41.26 95.72 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.412 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.87 -31.68 63.27 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 123.839 0.712 . . . . 0.0 112.235 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 40' ' ' VAL . 95.7 mt -74.82 -38.18 62.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.749 0.42 . . . . 0.0 111.873 176.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.9 -39.68 87.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.757 0.823 . . . . 0.0 109.895 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.8 t70 -62.99 -44.64 95.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.0 1.32 . . . . 0.0 110.581 176.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.58 -43.94 71.82 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.185 -174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.36 -35.48 77.79 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.641 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 84' ' ' ASP . 3.4 pp -68.19 -38.63 82.2 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.803 0.729 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -32.54 59.5 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 177.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.523 ' HA ' ' HG ' ' A' ' 92' ' ' LEU . . . -69.83 -32.13 70.38 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 123.136 0.574 . . . . 0.0 111.967 174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 60' ' ' ILE . 43.7 mt-10 -67.84 -39.22 83.89 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 168.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.03 57.69 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-O 118.993 -0.893 . . . . 0.0 113.964 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 72.4 mt -59.26 -31.24 68.91 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.696 0.748 . . . . 0.0 110.128 168.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -73.75 71.55 1.46 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.769 0.828 . . . . 0.0 108.795 168.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -119.48 38.16 3.96 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.709 1.204 . . . . 0.0 109.59 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.43 -46.45 60.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.171 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -157.51 113.89 2.91 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -86.46 35.19 0.65 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.22 1.008 . . . . 0.0 112.797 -167.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -155.84 139.09 15.65 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.633 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.87 142.88 14.26 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 123.921 0.889 . . . . 0.0 109.124 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.5 6.65 4.65 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.9 2.4 . . . . 0.0 113.175 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -90.87 -28.56 18.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 110.087 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.41 130.27 91.69 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 123.935 0.894 . . . . 0.0 109.844 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.32 -53.17 7.56 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.551 2.834 . . . . 0.0 113.974 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -65.86 -36.73 84.25 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.2 m -66.73 -46.76 74.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 123.069 0.231 . . . . 0.0 110.947 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -73.84 -27.71 61.24 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.56 0.744 . . . . 0.0 110.825 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.24 -52.33 62.57 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.27 1.028 . . . . 0.0 110.387 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.06 89.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.475 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.6 tp -67.19 -35.87 80.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.09 86.48 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.551 0.74 . . . . 0.0 110.528 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -58.1 -35.3 71.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.347 0.659 . . . . 0.0 111.505 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.92 -36.69 64.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.75 0.42 . . . . 0.0 110.864 176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.84 -36.6 79.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.065 0.546 . . . . 0.0 110.978 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD21 HD22 ' A' ' 49' ' ' LEU . 95.0 mt -54.54 -47.01 73.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.649 0.78 . . . . 0.0 111.536 174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -73.25 -28.74 62.31 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.425 -174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -95.51 14.02 24.14 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.671 0.789 . . . . 0.0 112.004 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 69.68 7.22 6.11 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.873 1.269 . . . . 0.0 112.525 174.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.95 51.38 1.92 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.594 0.757 . . . . 0.0 109.376 171.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.28 68.85 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.891 0.876 . . . . 0.0 111.526 -174.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -63.8 -41.64 97.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.493 0.717 . . . . 0.0 111.78 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -68.11 -38.32 82.12 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.367 0.667 . . . . 0.0 111.151 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.45 89.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.436 0.694 . . . . 0.0 110.148 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 50' ' ' TYR . 26.7 tp -63.48 -49.36 73.9 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.815 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.18 75.6 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.855 1.347 . . . . 0.0 111.867 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.53 -40.39 91.36 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.796 0.685 . . . . 0.0 111.75 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 19.8 m-85 -69.93 -45.1 68.22 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.571 0.544 . . . . 0.0 110.971 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.4 -34.72 74.34 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.306 0.642 . . . . 0.0 111.328 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -63.67 -54.14 40.33 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 123.751 0.82 . . . . 0.0 109.545 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -55.53 -37.99 68.66 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.77 -54.89 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.284 0.634 . . . . 0.0 111.491 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.76 -31.02 67.68 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.3 p -86.4 -40.99 14.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.866 0.467 . . . . 0.0 110.358 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -131.92 86.45 47.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 -176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' O ' HG11 ' A' ' 69' ' ' VAL . 73.4 Cg_endo -70.9 -11.27 29.12 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.448 2.099 . . . . 0.0 113.039 -173.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 9.4 p-10 -102.52 23.54 11.75 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.48 0.712 . . . . 0.0 111.129 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 29.2 t80 -106.34 91.71 3.82 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 69' ' ' VAL . 57.7 t -66.87 -36.15 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.621 0.769 . . . . 0.0 112.699 -169.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.13 67.69 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.874 0.734 . . . . 0.0 113.903 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 48.4 m -60.66 -45.53 93.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.343 0.657 . . . . 0.0 112.089 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -57.16 -49.12 76.92 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.943 0.777 . . . . 0.0 112.356 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -55.03 -49.38 71.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.965 0.906 . . . . 0.0 112.211 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -75.27 -31.48 60.76 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.44 -173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 39.2 tp -70.69 -43.0 69.95 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.808 0.843 . . . . 0.0 110.0 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.04 -38.0 63.99 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.603 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.98 -36.08 80.42 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.115 0.566 . . . . 0.0 110.569 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 17' ' ' LEU . 28.8 tp -71.13 -38.28 72.27 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.536 0.523 . . . . 0.0 110.317 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 26' ' ' LEU . 6.8 m-85 -60.39 -39.51 87.54 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.274 0.63 . . . . 0.0 111.087 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.58 -38.48 72.04 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.46 0.704 . . . . 0.0 110.977 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -80.34 -31.43 37.99 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.07 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.5 mt -88.18 11.04 17.41 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.802 0.841 . . . . 0.0 112.391 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 67.25 9.97 7.36 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.581 1.152 . . . . 0.0 111.632 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -91.87 46.89 1.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.522 1.129 . . . . 0.0 110.084 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 60' ' ' ILE . 27.0 m -59.6 -33.92 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.798 0.839 . . . . 0.0 112.153 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.04 -44.07 91.73 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.638 0.732 . . . . 0.0 110.511 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.31 -34.6 70.75 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.694 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -51.92 67.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.317 0.647 . . . . 0.0 110.446 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 56' ' ' THR . 28.0 mm -61.26 -39.62 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.51 0.724 . . . . 0.0 110.415 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.22 -46.68 89.44 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.224 0.953 . . . . 0.0 110.75 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.2 m -68.95 -35.63 76.99 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.964 0.906 . . . . 0.0 111.521 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' HG13 ' A' ' 67' ' ' ILE . 22.1 m-85 -69.38 -45.2 69.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.639 0.376 . . . . 0.0 110.248 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.93 97.65 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.088 0.955 . . . . 0.0 111.685 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.72 96.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.901 0.88 . . . . 0.0 110.002 172.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.15 -42.35 98.53 Favored Glycine 0 C--O 1.212 -1.268 0 CA-C-N 114.106 -1.407 . . . . 0.0 113.431 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' TYR . 73.2 mt -57.89 -40.38 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 124.128 0.971 . . . . 0.0 111.221 -176.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.32 -48.24 82.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 110.763 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 HG22 ' A' ' 40' ' ' VAL . 26.1 m -85.62 -18.47 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.459 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 82' ' ' LEU . . . -73.33 -42.08 62.74 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.464 0.705 . . . . 0.0 111.486 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HG3' ' HG2' ' A' ' 72' ' ' GLU . 38.2 ptt85 -66.19 -36.65 83.64 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.541 176.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' A' ' 71' ' ' ARG . 35.9 mm-40 -88.71 -56.38 3.32 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 38' ' ' ASP . 8.5 mm-40 -90.05 -38.96 13.22 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.209 1.003 . . . . 0.0 111.347 -172.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.32 43.65 Favored Glycine 0 C--N 1.344 0.998 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 p -85.16 173.79 10.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.129 0.572 . . . . 0.0 110.635 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -64.11 -30.63 71.69 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.012 0.525 . . . . 0.0 110.088 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -67.82 -42.35 81.62 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.318 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB3' HG11 ' A' ' 40' ' ' VAL . 15.9 m-20 -58.83 -44.88 91.0 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.488 0.715 . . . . 0.0 111.022 176.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.33 -48.26 81.11 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.38 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -62.82 -40.21 96.68 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.053 0.845 . . . . 0.0 111.099 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -61.71 -43.66 98.43 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.818 0.847 . . . . 0.0 111.199 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 70' ' ' ALA . 64.1 mt -73.86 -32.38 63.61 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.435 0.694 . . . . 0.0 112.441 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -73.01 -38.43 66.6 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.471 0.709 . . . . 0.0 110.771 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -39.45 75.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.145 0.978 . . . . 0.0 110.429 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.18 71.99 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.319 0.648 . . . . 0.0 111.914 -177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.01 -43.32 83.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.753 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.55 -38.48 89.73 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.086 0.403 . . . . 0.0 110.962 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.83 -40.25 69.21 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.677 0.391 . . . . 0.0 111.197 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.38 89.37 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.45 0.7 . . . . 0.0 111.713 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HG3' HD12 ' A' ' 60' ' ' ILE . 42.8 mt-10 -61.72 -37.68 85.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.862 0.465 . . . . 0.0 109.954 174.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.65 -10.46 60.81 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 114.691 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.2 -64.88 0.86 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 117.762 0.781 . . . . 0.0 110.875 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.26 -40.3 27.24 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -98.89 119.08 37.06 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -58.73 103.82 0.19 Allowed 'General case' 0 CA--C 1.552 1.043 0 O-C-N 123.453 0.471 . . . . 0.0 111.196 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -64.26 156.23 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.47 0.708 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.7 t60 64.25 64.63 0.71 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -172.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -61.69 -41.29 97.37 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.774 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.3 m170 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.115 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.39 160.31 80.03 Favored Pre-proline 0 N--CA 1.484 1.258 0 C-N-CA 123.417 0.687 . . . . 0.0 109.538 171.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.73 -6.28 3.22 Favored 'Trans proline' 0 C--N 1.385 2.465 0 C-N-CA 122.778 2.319 . . . . 0.0 114.043 174.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -55.71 -41.42 73.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.369 1.067 . . . . 0.0 111.447 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -68.83 131.8 90.93 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.692 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.68 -56.98 1.86 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 124.396 3.397 . . . . 0.0 114.276 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.9 -37.77 88.25 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.887 0.475 . . . . 0.0 112.142 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -61.36 -52.52 64.3 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.278 0.362 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.67 -28.31 64.69 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.315 0.246 . . . . 0.0 110.677 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -63.71 -53.54 49.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.983 0.913 . . . . 0.0 110.866 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.97 75.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.422 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.57 -34.63 78.68 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.841 0.856 . . . . 0.0 110.677 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.83 87.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.654 0.782 . . . . 0.0 110.488 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.22 -28.53 68.82 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.88 -41.7 77.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 172.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -59.19 -34.65 72.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.271 0.629 . . . . 0.0 111.184 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.11 -34.15 77.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.59 0.356 . . . . 0.0 111.294 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.83 -33.03 68.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.233 0.613 . . . . 0.0 110.783 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -92.77 7.33 44.1 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.587 0.755 . . . . 0.0 112.361 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 69.85 8.4 6.69 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.831 1.252 . . . . 0.0 113.745 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.98 58.27 4.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.325 1.05 . . . . 0.0 109.848 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.47 71.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.089 0.956 . . . . 0.0 111.704 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.9 p -55.36 -50.64 69.15 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.186 0.994 . . . . 0.0 111.981 172.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -70.03 -32.71 70.98 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.524 0.73 . . . . 0.0 111.323 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.86 90.86 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.267 0.627 . . . . 0.0 110.733 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.9 tp -64.42 -43.71 93.5 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.584 -177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.1 87.79 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.228 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 9' ' ' ARG . 80.0 mt -69.94 -33.52 72.24 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.854 0.462 . . . . 0.0 111.986 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 46' ' ' LEU . 17.5 m-85 -73.16 -37.68 66.47 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.731 0.413 . . . . 0.0 110.654 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.5 -30.61 67.44 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.961 0.505 . . . . 0.0 111.332 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.43 -34.8 74.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.6 mt -61.7 -45.51 93.66 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.653 171.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.56 -53.69 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 118.814 0.734 . . . . 0.0 111.009 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 35' ' ' THR . 14.4 pt-20 -64.46 -38.45 91.07 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.481 -0.782 . . . . 0.0 113.095 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 34' ' ' GLU . 81.5 p -92.47 -30.23 15.83 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.198 0.454 . . . . 0.0 111.695 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -133.23 75.76 70.22 Favored Pre-proline 0 N--CA 1.487 1.396 0 C-N-CA 124.136 0.974 . . . . 0.0 110.188 -174.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.38 -13.39 35.56 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.002 2.468 . . . . 0.0 112.104 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -77.02 -34.78 57.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.225 1.41 . . . . 0.0 111.376 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -67.02 107.44 2.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.892 0.877 . . . . 0.0 109.914 -175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 69' ' ' VAL . 44.3 t -73.76 -37.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.654 0.782 . . . . 0.0 111.747 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.74 -25.19 68.82 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.52 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -53.16 -57.25 11.1 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.816 0.846 . . . . 0.0 110.969 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -61.32 -41.73 97.5 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.292 0.995 . . . . 0.0 112.503 -171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 67.8 t80 -56.4 -67.67 0.28 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 123.456 0.473 . . . . 0.0 110.956 173.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -63.82 -32.95 74.63 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.382 0.673 . . . . 0.0 112.672 -169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 62.0 tp -65.52 -45.98 81.39 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.376 0.671 . . . . 0.0 110.7 174.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.31 -35.86 69.91 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.051 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 44' ' ' TYR . 31.5 mmmt -62.63 -37.13 85.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.963 0.505 . . . . 0.0 109.914 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.3 -36.56 74.42 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.921 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.9 m-85 -61.35 -43.63 98.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.231 0.612 . . . . 0.0 111.515 175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.69 -36.21 71.63 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.186 0.595 . . . . 0.0 110.811 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.54 -33.26 60.66 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.149 0.98 . . . . 0.0 111.592 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.1 mt -85.55 10.84 11.99 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.616 0.767 . . . . 0.0 111.566 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.25 15.66 7.76 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.743 1.217 . . . . 0.0 111.812 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -90.41 57.72 3.76 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.623 1.169 . . . . 0.0 108.982 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' ILE . 46.2 m -63.58 -38.13 89.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.087 -175.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.65 -43.06 94.05 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.687 0.756 . . . . 0.0 110.125 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.0 -39.01 83.3 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.172 -1.376 . . . . 0.0 110.548 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.54 65.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.694 0.798 . . . . 0.0 110.852 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 56' ' ' THR . 22.7 mm -58.2 -40.96 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 123.853 0.861 . . . . 0.0 110.4 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.07 -50.13 73.21 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.49 -1.232 . . . . 0.0 110.68 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 m -59.59 -43.18 93.77 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.036 0.934 . . . . 0.0 111.125 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 48' ' ' LYS . 25.7 m-85 -67.75 -40.26 84.14 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.383 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.34 -49.19 70.32 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.964 0.906 . . . . 0.0 111.609 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.236 0.615 . . . . 0.0 109.472 176.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.66 94.97 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.354 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.9 mt -60.04 -41.56 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.515 1.126 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.99 -46.66 88.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.449 0.7 . . . . 0.0 110.629 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.54 HG23 HG22 ' A' ' 40' ' ' VAL . 33.9 m -82.67 -18.96 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.573 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.83 62.11 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.843 0.457 . . . . 0.0 111.806 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.9 ptt85 -72.5 -26.78 61.91 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.078 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -89.95 -53.85 4.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.34 -37.96 8.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.17 0.988 . . . . 0.0 113.177 -171.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -92.03 -164.39 38.56 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 121.658 -0.306 . . . . 0.0 112.416 -174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.7 p -94.81 171.58 8.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.325 0.65 . . . . 0.0 111.158 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -68.39 -27.17 65.99 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.781 0.832 . . . . 0.0 110.091 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.97 -50.86 69.14 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.9 0.88 . . . . 0.0 110.031 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -57.58 -46.09 84.43 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 123.902 0.751 . . . . 0.0 109.5 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' HG ' ' NE2' ' A' ' 83' ' ' GLN . 37.3 tp -57.66 -46.04 84.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.323 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -65.96 -39.0 90.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.959 0.904 . . . . 0.0 111.034 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 49.3 mm-40 -66.22 -42.08 89.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.972 0.909 . . . . 0.0 111.547 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.14 -45.17 70.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.749 0.819 . . . . 0.0 111.596 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' NE2' ' HG ' ' A' ' 79' ' ' LEU . 49.6 mt-30 -61.57 -46.13 91.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.066 0.854 . . . . 0.0 110.684 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.03 -49.53 77.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.0 0.92 . . . . 0.0 111.265 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.6 98.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.174 0.921 . . . . 0.0 111.823 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -42.63 77.17 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.06 -38.9 86.63 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.19 0.45 . . . . 0.0 110.644 -176.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -33.37 60.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.631 0.372 . . . . 0.0 111.736 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 56' ' ' THR . . . -62.09 -32.88 73.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.849 0.46 . . . . 0.0 111.722 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -60.19 -33.04 71.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.957 0.503 . . . . 0.0 110.857 172.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.04 -28.25 70.18 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 113.609 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.03 -40.16 84.19 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 117.894 0.847 . . . . 0.0 110.057 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -102.38 23.26 12.06 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.166 -175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -65.58 -28.24 69.0 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -68.08 129.77 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.011 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -81.77 85.99 6.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.107 0.563 . . . . 0.0 109.997 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.1 p80 41.54 -63.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 128.367 2.667 . . . . 0.0 117.465 171.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 19.3 m170 81.92 116.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.06 2.144 . . . . 0.0 110.581 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 . . . . . 0 C--O 1.254 1.301 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.502 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -79.38 134.36 58.7 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 46.2 Cg_exo -58.04 -21.55 51.0 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.063 2.509 . . . . 0.0 112.67 171.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' HA ' ' NH1' ' A' ' 9' ' ' ARG . 44.2 mt-10 -58.34 -34.88 71.12 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.737 1.215 . . . . 0.0 112.914 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.98 139.18 94.15 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.364 0.666 . . . . 0.0 111.008 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.8 -49.41 14.66 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 123.303 2.669 . . . . 0.0 113.108 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.74 -38.63 88.67 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -67.6 -46.06 73.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.698 0.399 . . . . 0.0 110.679 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' NH1' ' HA ' ' A' ' 4' ' ' GLU . 7.9 ptm85 -75.15 -26.51 59.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 177.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -62.66 -53.29 56.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.769 0.828 . . . . 0.0 110.969 173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.96 72.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.652 0.781 . . . . 0.0 110.285 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -66.98 -37.26 83.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 109.818 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.51 87.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.585 0.754 . . . . 0.0 110.421 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.31 -36.97 83.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.968 0.507 . . . . 0.0 110.954 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.39 -37.82 86.11 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -63.12 -41.81 99.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.628 0.371 . . . . 0.0 111.238 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.589 HD21 HD22 ' A' ' 49' ' ' LEU . 58.9 mt -56.93 -48.85 77.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.078 0.551 . . . . 0.0 111.954 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.65 56.24 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.736 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -87.63 11.36 15.29 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.205 0.602 . . . . 0.0 111.511 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.0 t70 74.0 -0.44 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.705 1.202 . . . . 0.0 112.584 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.63 55.64 3.3 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.588 1.155 . . . . 0.0 110.12 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -59.98 -38.98 84.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.366 1.066 . . . . 0.0 111.502 -177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.6 p -59.29 -45.61 90.81 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 111.999 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -67.34 -38.63 85.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.372 0.669 . . . . 0.0 110.961 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.59 91.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.701 175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.25 -54.09 48.47 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.452 1.095 . . . . 0.0 109.85 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.86 77.22 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 112.024 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.89 -43.04 94.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 32' ' ' LEU . 22.9 m-85 -66.62 -45.88 77.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 122.984 0.514 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.37 -30.33 70.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.615 0.766 . . . . 0.0 110.99 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 36.8 tt0 -77.14 -34.86 56.54 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.143 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 29' ' ' PHE . 54.0 mt -60.31 -41.29 93.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.065 0.546 . . . . 0.0 110.766 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.76 -55.82 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 124.216 0.948 . . . . 0.0 110.99 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 13.0 pt-20 -60.91 -34.75 75.16 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.98 0.512 . . . . 0.0 112.117 -172.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -85.37 -40.32 16.62 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 122.994 0.518 . . . . 0.0 111.352 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.55 96.23 12.27 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 123.353 0.661 . . . . 0.0 109.219 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' O ' HG11 ' A' ' 69' ' ' VAL . 8.1 Cg_exo -71.73 -13.78 29.74 Favored 'Trans proline' 0 C--N 1.369 1.613 0 C-N-CA 122.963 2.442 . . . . 0.0 113.093 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.92 -24.46 35.61 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.549 0.74 . . . . 0.0 111.035 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 4.4 t80 -65.86 91.16 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.619 0.768 . . . . 0.0 110.404 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 69' ' ' VAL . 57.9 t -66.65 -40.69 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.105 0.962 . . . . 0.0 111.887 -173.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.8 -27.74 64.69 Favored Glycine 0 C--N 1.351 1.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.561 -174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.498 ' HG1' ' HD1' ' A' ' 39' ' ' TYR . 88.1 m -61.86 -50.97 70.11 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.024 0.53 . . . . 0.0 111.233 174.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -57.63 -41.25 80.97 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.163 0.914 . . . . 0.0 112.585 -169.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.1 t80 -57.43 -63.92 1.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 173.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -64.83 -29.49 70.46 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.937 0.895 . . . . 0.0 113.377 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 33.6 tp -73.56 -39.61 64.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.646 0.778 . . . . 0.0 109.756 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -68.82 -39.97 85.29 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 4.2 mmmp? -59.59 -39.12 83.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.121 0.968 . . . . 0.0 110.22 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 HD21 ' A' ' 17' ' ' LEU . 16.7 tp -70.59 -39.95 73.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.843 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.23 -40.87 82.84 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.824 0.45 . . . . 0.0 110.777 173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 47' ' ' GLY . 82.7 mt-10 -59.34 -37.7 78.52 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.418 0.687 . . . . 0.0 111.259 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 87.9 mtt180 -65.07 -36.91 85.83 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.426 0.69 . . . . 0.0 110.287 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 44.8 mt -87.02 11.75 12.93 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.49 12.49 4.45 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 124.375 1.07 . . . . 0.0 112.869 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.8 57.61 4.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.87 0.868 . . . . 0.0 108.738 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' ILE . 48.1 m -63.9 -39.28 93.81 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.748 -175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.2 -41.9 99.23 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.095 0.558 . . . . 0.0 109.959 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.05 -41.73 99.56 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.565 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.3 -49.44 77.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.839 0.856 . . . . 0.0 110.656 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 56' ' ' THR . 46.7 mm -57.82 -41.32 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.03 0.932 . . . . 0.0 110.742 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.29 -40.44 86.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.202 1.001 . . . . 0.0 110.786 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -68.71 -39.34 80.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.787 0.835 . . . . 0.0 110.9 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.14 -39.97 82.54 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.067 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.85 92.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.796 0.838 . . . . 0.0 111.127 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -44.42 96.39 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.903 0.881 . . . . 0.0 110.634 174.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.85 98.32 Favored Glycine 0 C--O 1.213 -1.176 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.211 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.32 -42.89 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.804 1.241 . . . . 0.0 111.156 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.14 -48.37 81.86 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.101 0.876 . . . . 0.0 110.679 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 40' ' ' VAL . 34.5 m -84.43 -19.3 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.975 -177.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.41 -45.7 37.32 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.724 -0.61 . . . . 0.0 110.878 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 32.5 ptt180 -66.97 -37.02 83.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.353 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HG3' ' HG3' ' A' ' 71' ' ' ARG . 43.0 mt-10 -92.31 -56.02 3.2 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 -40.5 13.48 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.545 -172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.2 -163.09 38.85 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-O 119.816 -0.435 . . . . 0.0 112.2 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.9 p -103.13 174.57 5.81 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 117.529 0.664 . . . . 0.0 111.081 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -58.16 -30.21 66.2 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.058 0.943 . . . . 0.0 112.093 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 81' ' ' GLU . 4.7 ttmp? -57.2 -50.92 71.33 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.47 0.481 . . . . 0.0 110.241 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 40' ' ' VAL . 8.0 m-20 -62.23 -43.92 97.74 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 124.157 0.911 . . . . 0.0 110.035 -176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.07 -49.18 77.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.336 1.022 . . . . 0.0 110.877 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -62.49 -39.7 94.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 111.148 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 6.0 mm-40 -64.05 -47.79 78.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.709 0.804 . . . . 0.0 111.913 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.95 -36.97 75.68 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.737 0.815 . . . . 0.0 112.092 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.56 -42.95 86.29 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.307 0.643 . . . . 0.0 110.763 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.7 -37.16 73.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.98 -176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.96 82.05 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.673 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -69.51 -38.82 77.74 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -35.2 77.05 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.446 0.567 . . . . 0.0 111.147 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.35 -32.84 61.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 117.606 0.185 . . . . 0.0 111.469 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -26.38 68.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.286 0.634 . . . . 0.0 112.403 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.55 -24.36 20.54 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.661 0.784 . . . . 0.0 112.211 169.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.98 -10.23 72.39 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.555 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.86 -49.7 67.2 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.874 0.837 . . . . 0.0 110.48 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.6 139.27 21.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.604 173.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 165.33 -175.4 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 127.232 2.213 . . . . 0.0 107.582 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -80.7 74.59 7.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.4 -16.51 58.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.738 0.815 . . . . 0.0 111.434 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -105.35 39.11 1.8 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.128 0.971 . . . . 0.0 108.815 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -70.22 -170.84 0.4 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.158 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 CA--C 1.556 1.204 0 C-N-CA 123.827 0.851 . . . . 0.0 111.037 179.304 . . . . . . . . 0 0 . 1 stop_ save_