data_2kc1_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 2kc1 _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 ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' HB2' ' HG1' ' A' ' 23' ' ' THR . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.614 ' HG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.561 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.842 HG13 HD11 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.487 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.842 HD11 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 54' ' ' ASP . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 53' ' ' ASP . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 HD23 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 49' ' ' LEU . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.269 0.557 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.693 HG13 HD13 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.727 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.557 HG11 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 19' ' ' PHE . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HZ3' ' A' ' 83' ' ' LYS . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 HG11 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.606 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.664 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.727 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.557 ' HE1' HD13 ' A' ' 49' ' ' LEU . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.612 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HZ3' ' CG ' ' A' ' 46' ' ' ASP . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.664 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.771 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 27.8 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.436 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.721 HG21 ' HB1' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.648 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.768 HD11 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.541 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.782 ' HA ' HD21 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.629 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.431 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.548 ' HE2' HD21 ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.771 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD2' HG23 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB1' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.764 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD11 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.685 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB1' HD11 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.685 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 51' ' ' LEU . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE3' HD21 ' A' ' 49' ' ' LEU . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.94 0.4 . . . . 1.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.559 HD13 HD13 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.668 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.43 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' GLU . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.42 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.739 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.448 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.724 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.5 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.613 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.668 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.423 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.55 0.691 . . . . 1.0 109.936 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.906 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG12 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HE2' HG12 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.793 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.718 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.517 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.81 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.793 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HB3' HD22 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 49' ' ' LEU . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.906 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.564 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.635 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.75 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.75 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.545 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.536 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.414 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' HE3' ' A' ' 79' ' ' MET . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.651 ' HB2' HD13 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.747 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.747 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.544 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD13 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.868 ' HB2' HD21 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.725 ' HE3' HD22 ' A' ' 49' ' ' LEU . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.63 0.728 . . . . 1.0 112.802 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.71 HG13 HD12 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.638 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.442 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.71 HD12 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.713 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' HE3' ' A' ' 79' ' ' MET . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.588 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.536 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.578 ' HE3' HD13 ' A' ' 49' ' ' LEU . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.638 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.536 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.886 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG2' HD11 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.548 ' HE1' ' HG3' ' A' ' 35' ' ' ARG . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.815 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.692 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HG3' ' HE1' ' A' ' 17' ' ' MET . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD11 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.586 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.724 HD11 HG11 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.615 ' HB2' HD12 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.568 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.815 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.519 ' HB3' HD23 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.886 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB3' HG22 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.739 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.739 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.45 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.485 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 30' ' ' ARG . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.594 HD11 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD12 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB1' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.758 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.758 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB1' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 79' ' ' MET . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 21' ' ' PRO . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.548 ' HA ' HD21 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 49' ' ' LEU . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.457 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.617 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.644 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' HD13 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.603 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.617 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.441 ' HE1' HD12 ' A' ' 49' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.5 ' HE1' ' SG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.603 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.854 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.634 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.751 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.832 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.668 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' HD21 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.621 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 79' ' ' MET . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.656 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.832 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HB3' HD23 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.55 ' HE1' HD11 ' A' ' 49' ' ' LEU . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.634 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.703 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HZ2' ' A' ' 15' ' ' LYS . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.703 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HZ2' HG13 ' A' ' 13' ' ' VAL . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.648 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD11 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.619 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD11 HG12 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.488 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.744 ' HB2' HD12 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.66 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.801 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HD12 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.666 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.747 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.527 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.554 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.801 ' HB2' HD22 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE2' HD12 ' A' ' 49' ' ' LEU . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HZ1' ' HB2' ' A' ' 84' ' ' LYS . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG13 HD13 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HD11 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.496 ' SD ' HD12 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.591 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.662 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.527 HD11 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.568 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.56 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD11 ' HE2' ' A' ' 79' ' ' MET . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.411 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.611 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.62 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.748 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.62 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.508 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 2' ' ' VAL . 4.3 p . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.503 ' HB2' HD21 ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.499 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.485 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.433 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 49' ' ' LEU . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.722 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.485 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.545 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD13 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 5' ' ' SER . 22.5 t-20 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.603 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.689 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.883 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.569 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.537 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 79' ' ' MET . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.55 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.883 ' HB2' HD22 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.57 ' HE3' HD11 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.55 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.59 ' HG3' HD13 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.628 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' OD2' ' HE1' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.422 ' SG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HE1' ' OD2' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' HD13 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HE2' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.535 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.523 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB2' HD22 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.599 ' HE2' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.624 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.769 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.573 ' HE3' ' HG3' ' A' ' 35' ' ' ARG . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.832 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.675 HG12 HD11 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG3' ' HE3' ' A' ' 17' ' ' MET . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 HG12 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.437 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB3' HG22 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.832 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.736 ' HB3' HD23 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.624 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.626 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.769 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 2' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.476 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.625 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.727 ' HE2' ' HG3' ' A' ' 35' ' ' ARG . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.589 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.833 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.436 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.573 HD13 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.727 ' HG3' ' HE2' ' A' ' 17' ' ' MET . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 35' ' ' ARG . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.62 HD13 ' HE2' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.621 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.621 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.551 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.833 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.702 ' HB3' HD23 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD13 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.625 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.551 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.798 -0.521 . . . . 1.0 111.798 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.497 ' H ' HD13 ' A' ' -4' ' ' ILE . 0.2 OUTLIER -132.78 147.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.82 0.31 . . . . 1.0 110.946 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 29.4 t70 -68.22 121.25 79.54 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.46 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.782 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 3.1 Cg_exo -77.71 151.15 28.13 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.415 2.743 . . . . 1.0 113.199 -177.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.1 p90 178.86 16.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.201 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 1.4 m -78.02 118.98 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.307 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt 57.03 -134.06 1.27 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.06 110.51 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.782 ' HG2' ' HB3' ' A' ' -2' ' ' PRO . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.614 ' HG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.561 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.842 HG13 HD11 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.487 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.842 HD11 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 54' ' ' ASP . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 53' ' ' ASP . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 HD23 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 49' ' ' LEU . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.97 112.92 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.081 0.467 . . . . 1.0 109.904 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -78.16 151.62 78.66 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.576 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.47 -32.58 59.53 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 1.0 111.383 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -92.67 159.05 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 1.0 109.632 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 3.2 t -157.03 87.87 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.963 0.411 . . . . 1.0 111.023 -176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm 68.29 -64.75 0.29 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.685 -0.689 . . . . 1.0 111.381 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p -134.58 119.9 30.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.032 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.693 HG13 HD13 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.727 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.557 HG11 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 19' ' ' PHE . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HZ3' ' A' ' 83' ' ' LYS . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 HG11 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' HB2' HD12 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.606 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.664 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.727 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.557 ' HE1' HD13 ' A' ' 49' ' ' LEU . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.612 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HZ3' ' CG ' ' A' ' 46' ' ' ASP . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.664 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.183 -0.367 . . . . 1.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.83 127.95 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -86.6 139.99 33.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 1.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.17 -16.18 11.16 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.7 2.267 . . . . 1.0 113.782 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 25.5 t80 66.3 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.659 0.384 . . . . 1.0 110.281 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 22.0 p -147.36 117.91 7.49 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt 63.69 -160.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.546 0.529 . . . . 1.0 109.964 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.1 p -83.34 82.09 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 171.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.771 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 27.8 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.436 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.721 HG21 ' HB1' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.648 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.768 HD11 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.541 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.782 ' HA ' HD21 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.629 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.548 ' HE2' HD21 ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.771 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD2' HG23 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.634 -0.586 . . . . 1.0 111.634 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.696 ' H ' HD12 ' A' ' -4' ' ' ILE . 0.2 OUTLIER -93.26 160.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.041 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -81.67 134.65 50.33 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.026 -0.361 . . . . 1.0 110.026 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.89 -35.79 72.05 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.789 2.993 . . . . 1.0 114.672 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -159.28 -38.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.444 . . . . 1.0 111.984 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 24.1 m 73.33 -56.56 0.65 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.196 0.598 . . . . 1.0 111.901 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm -138.41 -160.63 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.15 75.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 174.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB1' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.764 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD11 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.685 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HB1' HD11 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.685 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 51' ' ' LEU . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.764 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.532 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE3' HD21 ' A' ' 49' ' ' LEU . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.76 -0.536 . . . . 1.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 37.9 pt -94.01 170.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 6.1 p-10 -86.33 141.4 34.69 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 27.6 Cg_exo -62.68 117.93 4.83 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.559 2.172 . . . . 1.0 112.194 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -103.06 146.7 27.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.401 HG21 ' CE ' ' A' ' 1' ' ' MET . 14.2 m -101.06 102.75 13.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.927 0.394 . . . . 1.0 110.785 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CE ' HG21 ' A' ' 0' ' ' THR . 4.7 mpp? 64.63 -93.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.685 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.6 152.41 4.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.506 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.559 HD13 HD13 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.668 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.43 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' SER . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' GLU . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.42 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.739 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.448 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.544 HG21 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.724 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.5 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.613 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.668 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.2 pt -117.8 112.83 40.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.536 0.684 . . . . 1.0 111.591 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -92.12 139.4 24.32 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.093 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.68 7.65 0.69 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.093 2.529 . . . . 1.0 113.568 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 70.3 99.27 0.06 Allowed 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.436 0.694 . . . . 1.0 110.852 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.603 HG23 ' SD ' ' A' ' 1' ' ' MET . 8.2 m -150.82 114.56 4.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.124 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.603 ' SD ' HG23 ' A' ' 0' ' ' THR . 1.1 mpt? 71.97 -67.7 0.25 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.495 0.718 . . . . 1.0 111.803 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t -83.49 63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.936 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.906 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG12 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HE2' HG12 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.793 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.718 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.517 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.81 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.793 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HB3' HD22 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 49' ' ' LEU . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.906 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.023 -0.431 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.64 127.37 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.82 133.96 61.34 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.257 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.53 -35.52 98.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.45 2.1 . . . . 1.0 110.973 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 3' ' ' ALA . 26.0 p90 -143.42 124.4 14.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.552 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.8 p -63.92 118.36 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.416 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtm 59.8 -101.13 0.11 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 1.0 110.646 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.42 116.55 39.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 115.232 -0.895 . . . . 1.0 109.687 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' -1' ' ' PHE . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.564 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.635 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.75 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.75 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.545 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.536 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.414 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' HE3' ' A' ' 79' ' ' MET . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.651 ' HB2' HD13 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.747 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.747 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.544 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD13 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.868 ' HB2' HD21 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.564 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.725 ' HE3' HD22 ' A' ' 49' ' ' LEU . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.716 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.917 -0.473 . . . . 1.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 8.4 tt -88.5 133.77 29.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.822 0.344 . . . . 1.0 110.705 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -91.08 153.9 44.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.706 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.54 136.06 44.87 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.824 2.35 . . . . 1.0 111.459 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 76.9 m-85 -87.24 76.65 9.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.342 0.591 . . . . 1.0 110.875 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.3 m -96.49 -14.73 22.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.517 0.675 . . . . 1.0 109.599 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' HG3' ' A' ' 1' ' ' MET . 21.7 ptp -78.67 102.89 8.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.088 -0.96 . . . . 1.0 111.23 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m 37.72 44.57 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 1.0 112.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' -1' ' ' PHE . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.71 HG13 HD12 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.638 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.442 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.71 HD12 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.713 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' HE3' ' A' ' 79' ' ' MET . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.588 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.588 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.536 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.578 ' HE3' HD13 ' A' ' 49' ' ' LEU . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.638 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.536 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.766 -0.534 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.92 136.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.93 130.31 90.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.42 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.34 130.32 37.88 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.371 2.714 . . . . 1.0 112.855 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -96.73 165.5 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.74 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.1 m -127.67 134.64 49.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt 71.77 158.75 0.2 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.56 0.537 . . . . 1.0 110.241 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.69 111.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.886 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG2' HD11 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.548 ' HE1' ' HG3' ' A' ' 35' ' ' ARG . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.815 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.692 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HG3' ' HE1' ' A' ' 17' ' ' MET . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD11 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.614 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.586 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.724 HD11 HG11 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.615 ' HB2' HD12 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.568 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.815 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.519 ' HB3' HD23 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.886 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.841 -0.504 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.06 130.43 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 1.0 110.225 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.94 149.84 57.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.037 -0.357 . . . . 1.0 110.037 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.72 107.09 2.2 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.957 2.438 . . . . 1.0 112.661 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -133.54 -35.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.211 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.1 m 67.02 -72.87 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.728 -0.669 . . . . 1.0 112.414 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt -80.31 172.21 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.3 119.26 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB3' HG22 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.739 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.739 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.45 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.485 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 30' ' ' ARG . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.594 HD11 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD12 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB1' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.758 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.758 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB1' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 79' ' ' MET . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.42 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 21' ' ' PRO . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.548 ' HA ' HD21 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 49' ' ' LEU . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.537 -0.625 . . . . 1.0 111.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.6 129.65 41.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 11.2 t70 -56.66 118.32 22.08 Favored Pre-proline 0 C--O 1.234 0.285 0 O-C-N 123.509 0.505 . . . . 1.0 109.832 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 37.5 Cg_exo -61.4 158.44 35.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.661 2.908 . . . . 1.0 113.808 -171.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.446 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 29.1 p90 -107.66 10.83 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.542 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.462 HG22 ' HG3' ' A' ' 1' ' ' MET . 19.6 m -58.51 146.79 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.882 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG3' HG22 ' A' ' 0' ' ' THR . 59.2 mtm 69.17 -171.48 0.18 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.45 53.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.457 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.617 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.644 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' SG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' HD13 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD11 HG12 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.603 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.617 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.441 ' HE1' HD12 ' A' ' 49' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' HE1' ' SG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.603 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.318 -0.713 . . . . 1.0 111.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.52 111.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 173.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -92.43 136.92 24.88 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.182 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.14 99.22 0.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.562 2.174 . . . . 1.0 112.128 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -78.17 143.26 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.572 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 15.2 t -74.31 -175.73 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.855 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp -56.25 128.1 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.92 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p 41.49 53.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.854 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.634 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.751 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.832 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.668 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HA ' HD21 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.621 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 79' ' ' MET . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.656 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.475 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.832 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HB3' HD23 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.854 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.55 ' HE1' HD11 ' A' ' 49' ' ' LEU . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.634 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.802 -0.519 . . . . 1.0 111.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.416 ' O ' ' HD3' ' A' ' -2' ' ' PRO . 47.8 mm -95.47 117.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 2.5 p-10 -91.8 109.27 35.74 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.053 0.454 . . . . 1.0 110.501 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 10.1 Cg_endo -89.59 -33.18 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.106 2.538 . . . . 1.0 113.008 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 62.53 -177.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.037 0.446 . . . . 1.0 111.267 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 13.8 m -98.43 88.65 4.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 mtt 62.06 -165.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.985 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -84.34 97.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.703 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG13 ' HZ2' ' A' ' 15' ' ' LYS . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.703 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HZ2' HG13 ' A' ' 13' ' ' VAL . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.648 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.668 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD11 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB3' HG21 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.619 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD11 HG12 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HB2' HD13 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.488 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.744 ' HB2' HD12 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.66 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.971 -0.451 . . . . 1.0 111.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -121.82 126.97 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -91.49 145.71 31.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.65 157.36 47.51 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.726 2.284 . . . . 1.0 112.456 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.429 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 27.3 m-85 -98.99 7.6 45.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.946 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 25.2 m 68.4 95.33 0.07 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.283 -0.871 . . . . 1.0 109.743 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt 68.49 178.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.378 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t -73.88 94.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.801 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG13 HD12 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.666 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' -1' ' ' PHE . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.747 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.701 HG21 ' HB2' ' A' ' 39' ' ' ALA . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.527 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.554 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.801 ' HB2' HD22 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE2' HD12 ' A' ' 49' ' ' LEU . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.558 ' HZ1' ' HB2' ' A' ' 84' ' ' LYS . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.647 -0.581 . . . . 1.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.3 tp -108.87 151.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -54.71 142.93 51.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.557 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 18' ' ' GLN . 80.7 Cg_exo -45.94 104.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.489 2.793 . . . . 1.0 113.011 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.512 ' HD1' HE22 ' A' ' 18' ' ' GLN . 47.0 t80 -98.74 81.1 2.61 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.506 0.669 . . . . 1.0 110.036 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.625 ' H ' ' HB3' ' A' ' 3' ' ' ALA . 2.2 m -87.85 157.94 18.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.288 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.7 mpt? -70.96 -4.28 23.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.66 0.743 . . . . 1.0 110.385 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.4 43.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.625 ' HB3' ' H ' ' A' ' 0' ' ' THR . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG13 HD13 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' HG3' HD11 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.496 ' SD ' HD12 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.512 HE22 ' HD1' ' A' ' -1' ' ' PHE . 27.3 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.591 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.662 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.527 HD11 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.568 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.56 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD11 ' HE2' ' A' ' 79' ' ' MET . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.611 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.62 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.748 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.62 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.508 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.844 -0.502 . . . . 1.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 42.4 pt -89.39 151.95 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 38.9 t70 -78.02 119.12 76.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.109 178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 17.0 Cg_exo -66.9 114.93 3.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.847 2.365 . . . . 1.0 112.103 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -80.99 132.68 35.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.255 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 61.0 m -70.14 115.68 9.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.449 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp 55.49 -150.77 0.41 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.04 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 2' ' ' VAL . 4.3 p -76.54 93.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 173.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.503 ' HB2' HD21 ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.499 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.485 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.433 ' HA ' ' HE3' ' A' ' 24' ' ' MET . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 49' ' ' LEU . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.722 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.485 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.545 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD13 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 5' ' ' SER . 22.5 t-20 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.603 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.689 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.501 -0.24 . . . . 1.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -121.47 147.43 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -77.82 118.16 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.622 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.93 116.94 4.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.596 2.198 . . . . 1.0 109.803 170.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.418 ' HE1' ' HE3' ' A' ' 1' ' ' MET . 2.7 t80 -71.42 127.78 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.467 -172.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.8 m -64.36 -54.86 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.823 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HE3' ' HE1' ' A' ' -1' ' ' PHE . 56.0 ttp -71.09 155.31 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p -59.1 107.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.883 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.569 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.537 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' A' ' 79' ' ' MET . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.55 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.883 ' HB2' HD22 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.57 ' HE3' HD11 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.55 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.054 -0.418 . . . . 1.0 112.054 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.98 121.71 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.406 -0.22 . . . . 1.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.45 145.29 94.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.47 141.9 82.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.518 2.146 . . . . 1.0 111.119 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -114.02 106.94 15.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.023 0.439 . . . . 1.0 111.369 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.446 HG21 ' HG2' ' A' ' 1' ' ' MET . 9.8 t -154.2 -30.33 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.192 175.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HG2' HG21 ' A' ' 0' ' ' THR . 26.4 mmt -119.54 132.7 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 109.694 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t 56.62 55.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.59 ' HG3' HD13 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.628 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' OD2' ' HE1' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' SG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HE1' ' OD2' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' HD13 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HE2' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.535 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.523 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB2' HD22 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.599 ' HE2' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -88.47 124.21 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.26 116.78 19.12 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 123.533 0.52 . . . . 1.0 111.098 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -70.05 127.6 14.59 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.671 2.248 . . . . 1.0 112.077 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 1' ' ' MET . 45.8 p90 -114.03 20.07 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.615 -177.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.576 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 85.2 m 75.94 -17.32 0.53 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.801 -0.636 . . . . 1.0 112.065 175.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 0' ' ' THR . 71.8 mtm 70.67 -74.39 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.163 0.585 . . . . 1.0 110.755 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -85.37 78.7 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 0' ' ' THR . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.624 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.769 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.573 ' HE3' ' HG3' ' A' ' 35' ' ' ARG . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.832 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.675 HG12 HD11 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG3' ' HE3' ' A' ' 17' ' ' MET . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 HG12 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.437 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB3' HG22 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.832 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.736 ' HB3' HD23 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.624 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.626 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.769 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.372 -0.691 . . . . 1.0 111.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 12.8 tt -121.27 119.62 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.255 0.55 . . . . 1.0 110.59 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 t70 -80.56 124.96 81.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.35 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.551 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.5 Cg_exo -76.41 18.78 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.415 2.743 . . . . 1.0 113.748 -174.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.471 ' O ' ' HG2' ' A' ' 1' ' ' MET . 82.9 t80 67.68 85.96 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.564 0.579 . . . . 1.0 112.564 169.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.452 ' HG1' ' C ' ' A' ' -1' ' ' PHE . 81.8 p 55.97 14.56 1.44 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.794 1.035 . . . . 1.0 113.794 171.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.629 ' HE1' ' HB3' ' A' ' 3' ' ' ALA . 26.3 ptt? 179.63 -169.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -177.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 2' ' ' VAL . 6.8 p -98.5 85.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 171.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.629 ' HB3' ' HE1' ' A' ' 1' ' ' MET . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.476 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.625 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.727 ' HE2' ' HG3' ' A' ' 35' ' ' ARG . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG2' ' HE2' ' A' ' 1' ' ' MET . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.589 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.833 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.436 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.573 HD13 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.727 ' HG3' ' HE2' ' A' ' 17' ' ' MET . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 35' ' ' ARG . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.62 HD13 ' HE2' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.621 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.621 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.551 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.833 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.702 ' HB3' HD23 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD13 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.625 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.551 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.566 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 32' ' ' ILE . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.673 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.269 0.557 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.629 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.729 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.71 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 38' ' ' GLU . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' H ' HG22 ' A' ' 36' ' ' ILE . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD12 HG13 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.625 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.672 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.71 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.505 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.672 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.805 HD22 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.824 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.653 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 90.6 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.618 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.449 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB2' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.786 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 62' ' ' LEU . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.549 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HD13 ' A' ' 51' ' ' LEU . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.805 ' HA ' HD22 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.646 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.824 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' HD21 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 25' ' ' VAL . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.779 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.94 0.4 . . . . 1.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.682 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 81' ' ' TYR . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.911 HG13 HD12 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.755 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.467 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.73 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 36' ' ' ILE . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.911 HD12 HG13 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.508 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.682 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.539 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 61' ' ' TRP . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.55 0.691 . . . . 1.0 109.936 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.644 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.923 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG11 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' HG11 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 58.4 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.799 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 38' ' ' GLU . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.531 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.799 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.923 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.776 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.776 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.557 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' H ' ' A' ' 38' ' ' GLU . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.75 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.75 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.558 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.887 ' HB2' HD23 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.632 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.63 0.728 . . . . 1.0 112.802 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.689 HG13 HD11 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.689 HD11 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.648 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 25' ' ' VAL . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.598 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.609 HD11 HD21 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.91 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HE3' ' HB3' ' A' ' 17' ' ' MET . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.82 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG13 HD12 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.761 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' H ' HG22 ' A' ' 36' ' ' ILE . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 37' ' ' PRO . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.62 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.63 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD12 HG13 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.618 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.567 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.605 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.91 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB3' HG21 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.743 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.743 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.548 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' MET . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.782 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.782 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.76 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.57 ' HA ' HD22 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.923 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 81' ' ' TYR . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.627 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.677 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.716 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 10' ' ' ILE . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 38' ' ' GLU . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.463 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD12 HG13 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 73' ' ' LEU . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB2' HD23 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.468 ' HG3' HD23 ' A' ' 6' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.716 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.611 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.892 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.715 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.561 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' H ' ' A' ' 38' ' ' GLU . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HA ' HD23 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 36' ' ' ILE . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 25' ' ' VAL . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HB2' ' HG3' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.892 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.88 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.702 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HB3' HG22 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.492 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.765 ' HB2' HD13 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.664 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.683 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.701 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.676 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 8' ' ' ILE . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 32' ' ' ILE . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' H ' HG22 ' A' ' 36' ' ' ILE . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.524 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.573 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' HD13 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.606 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.718 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 25' ' ' VAL . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.607 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.633 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.718 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.578 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.633 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.601 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.487 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.805 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.486 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.575 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.607 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.757 ' HB2' HD23 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.7 t30 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.601 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.587 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 32' ' ' ILE . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.587 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.907 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 10' ' ' ILE . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 8' ' ' ILE . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.543 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 33' ' ' ARG . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 38' ' ' GLU . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 36' ' ' ILE . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.557 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.907 ' HB2' HD21 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.44 ' CE ' HD13 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.586 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.443 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' HG2' ' A' ' 15' ' ' LYS . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' HG12 ' A' ' 13' ' ' VAL . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.617 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 62' ' ' LEU . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' GLU . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 36' ' ' ILE . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.624 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.526 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.734 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HE2' ' HG ' ' A' ' 29' ' ' CYS . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 17' ' ' MET . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.838 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.696 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 38' ' ' GLU . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 36' ' ' ILE . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.431 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.838 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.793 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.438 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 2' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 19' ' ' PHE . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.649 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 32' ' ' ILE . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.698 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.572 HD11 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HB2' HD12 ' A' ' 36' ' ' ILE . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 38' ' ' GLU . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 36' ' ' ILE . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD22 ' HE3' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.639 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.571 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.694 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.483 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.421 ' HE3' HD22 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.798 -0.521 . . . . 1.0 111.798 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' -4' ' ' ILE . 0.2 OUTLIER -132.78 147.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.82 0.31 . . . . 1.0 110.946 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 29.4 t70 -68.22 121.25 79.54 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.46 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.807 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 3.1 Cg_exo -77.71 151.15 28.13 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.415 2.743 . . . . 1.0 113.199 -177.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.1 p90 178.86 16.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.201 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 1.4 m -78.02 118.98 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.307 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt 57.03 -134.06 1.27 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.06 110.51 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.807 ' HG2' ' HB3' ' A' ' -2' ' ' PRO . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.566 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 32' ' ' ILE . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.673 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.97 112.92 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.081 0.467 . . . . 1.0 109.904 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -78.16 151.62 78.66 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.576 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.47 -32.58 59.53 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 1.0 111.383 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -92.67 159.05 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 1.0 109.632 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 3.2 t -157.03 87.87 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.963 0.411 . . . . 1.0 111.023 -176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm 68.29 -64.75 0.29 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.685 -0.689 . . . . 1.0 111.381 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p -134.58 119.9 30.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.032 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.629 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.729 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.71 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 38' ' ' GLU . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' H ' HG22 ' A' ' 36' ' ' ILE . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD12 HG13 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.625 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.672 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.71 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.505 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.672 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.183 -0.367 . . . . 1.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.83 127.95 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -86.6 139.99 33.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 1.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.17 -16.18 11.16 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.7 2.267 . . . . 1.0 113.782 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 25.5 t80 66.3 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.659 0.384 . . . . 1.0 110.281 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 22.0 p -147.36 117.91 7.49 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt 63.69 -160.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.546 0.529 . . . . 1.0 109.964 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.1 p -83.34 82.09 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 171.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.805 HD22 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.824 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.653 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 90.6 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.618 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.449 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB2' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.786 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 62' ' ' LEU . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.549 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HD13 ' A' ' 51' ' ' LEU . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.805 ' HA ' HD22 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.646 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.824 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.634 -0.586 . . . . 1.0 111.634 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.776 HD13 ' H ' ' A' ' -4' ' ' ILE . 0.2 OUTLIER -93.26 160.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.041 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -81.67 134.65 50.33 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.026 -0.361 . . . . 1.0 110.026 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.89 -35.79 72.05 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.789 2.993 . . . . 1.0 114.672 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -159.28 -38.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.444 . . . . 1.0 111.984 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 24.1 m 73.33 -56.56 0.65 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.196 0.598 . . . . 1.0 111.901 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm -138.41 -160.63 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.15 75.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 174.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' HD21 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 25' ' ' VAL . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.779 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.76 -0.536 . . . . 1.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 37.9 pt -94.01 170.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 6.1 p-10 -86.33 141.4 34.69 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 27.6 Cg_exo -62.68 117.93 4.83 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.559 2.172 . . . . 1.0 112.194 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -103.06 146.7 27.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 1' ' ' MET . 14.2 m -101.06 102.75 13.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.927 0.394 . . . . 1.0 110.785 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 0' ' ' THR . 4.7 mpp? 64.63 -93.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.685 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.6 152.41 4.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.506 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.682 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 81' ' ' TYR . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.911 HG13 HD12 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.755 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.467 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.73 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 36' ' ' ILE . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.911 HD12 HG13 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.508 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.682 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.539 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 61' ' ' TRP . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.2 pt -117.8 112.83 40.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.536 0.684 . . . . 1.0 111.591 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -92.12 139.4 24.32 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.093 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.68 7.65 0.69 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.093 2.529 . . . . 1.0 113.568 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 70.3 99.27 0.06 Allowed 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.436 0.694 . . . . 1.0 110.852 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.61 HG22 ' SD ' ' A' ' 1' ' ' MET . 8.2 m -150.82 114.56 4.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.124 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.61 ' SD ' HG22 ' A' ' 0' ' ' THR . 1.1 mpt? 71.97 -67.7 0.25 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.495 0.718 . . . . 1.0 111.803 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t -83.49 63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.936 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.644 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.923 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG11 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' HG11 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 58.4 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.799 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 38' ' ' GLU . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.531 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.799 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.923 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.023 -0.431 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.64 127.37 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.82 133.96 61.34 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.257 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.53 -35.52 98.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.45 2.1 . . . . 1.0 110.973 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.673 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 26.0 p90 -143.42 124.4 14.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.552 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.8 p -63.92 118.36 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.416 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtm 59.8 -101.13 0.11 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 1.0 110.646 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.42 116.55 39.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 115.232 -0.895 . . . . 1.0 109.687 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' -1' ' ' PHE . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.776 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.776 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.557 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' H ' ' A' ' 38' ' ' GLU . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.75 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.75 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.558 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.887 ' HB2' HD23 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.632 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.917 -0.473 . . . . 1.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 8.4 tt -88.5 133.77 29.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.822 0.344 . . . . 1.0 110.705 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 19.2 m-20 -91.08 153.9 44.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.706 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 21.1 Cg_exo -65.54 136.06 44.87 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.824 2.35 . . . . 1.0 111.459 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 76.9 m-85 -87.24 76.65 9.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.342 0.591 . . . . 1.0 110.875 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.3 m -96.49 -14.73 22.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.517 0.675 . . . . 1.0 109.599 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 1' ' ' MET . 21.7 ptp -78.67 102.89 8.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.088 -0.96 . . . . 1.0 111.23 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m 37.72 44.57 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 1.0 112.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' -1' ' ' PHE . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.689 HG13 HD11 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.689 HD11 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.648 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 25' ' ' VAL . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.598 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.609 HD11 HD21 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.766 -0.534 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.92 136.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.93 130.31 90.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.42 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.34 130.32 37.88 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.371 2.714 . . . . 1.0 112.855 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -96.73 165.5 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.74 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.1 m -127.67 134.64 49.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt 71.77 158.75 0.2 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.56 0.537 . . . . 1.0 110.241 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.69 111.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.91 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HE3' ' HB3' ' A' ' 17' ' ' MET . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.82 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG13 HD12 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.761 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' H ' HG22 ' A' ' 36' ' ' ILE . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 37' ' ' PRO . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.62 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.63 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD12 HG13 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.618 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.567 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.605 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.91 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.841 -0.504 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.06 130.43 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 1.0 110.225 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.94 149.84 57.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.037 -0.357 . . . . 1.0 110.037 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.72 107.09 2.2 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.957 2.438 . . . . 1.0 112.661 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -133.54 -35.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.211 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.1 m 67.02 -72.87 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.728 -0.669 . . . . 1.0 112.414 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt -80.31 172.21 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.3 119.26 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB3' HG21 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.743 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.743 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.548 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' MET . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.782 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.782 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.76 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.57 ' HA ' HD22 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.537 -0.625 . . . . 1.0 111.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.6 129.65 41.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 11.2 t70 -56.66 118.32 22.08 Favored Pre-proline 0 C--O 1.234 0.285 0 O-C-N 123.509 0.505 . . . . 1.0 109.832 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 37.5 Cg_exo -61.4 158.44 35.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.661 2.908 . . . . 1.0 113.808 -171.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 29.1 p90 -107.66 10.83 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.542 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 1' ' ' MET . 19.6 m -58.51 146.79 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.882 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG3' HG22 ' A' ' 0' ' ' THR . 59.2 mtm 69.17 -171.48 0.18 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.45 53.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.923 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 81' ' ' TYR . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.627 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.677 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.716 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 10' ' ' ILE . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 38' ' ' GLU . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD12 HG13 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 73' ' ' LEU . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB2' HD23 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.468 ' HG3' HD23 ' A' ' 6' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.716 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.611 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.318 -0.713 . . . . 1.0 111.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.52 111.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 173.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -92.43 136.92 24.88 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.182 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.14 99.22 0.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.562 2.174 . . . . 1.0 112.128 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.409 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 29.0 p90 -78.17 143.26 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 15.2 t -74.31 -175.73 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.855 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp -56.25 128.1 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.92 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p 41.49 53.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' -1' ' ' PHE . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.892 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.715 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.561 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' H ' ' A' ' 38' ' ' GLU . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HA ' HD23 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 36' ' ' ILE . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 25' ' ' VAL . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HB2' ' HG3' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.892 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.88 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.802 -0.519 . . . . 1.0 111.802 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.409 ' O ' ' HD3' ' A' ' -2' ' ' PRO . 47.8 mm -95.47 117.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 2.5 p-10 -91.8 109.27 35.74 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.053 0.454 . . . . 1.0 110.501 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 10.1 Cg_endo -89.59 -33.18 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.106 2.538 . . . . 1.0 113.008 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 62.53 -177.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.037 0.446 . . . . 1.0 111.267 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 13.8 m -98.43 88.65 4.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 mtt 62.06 -165.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.985 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -84.34 97.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.702 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HB3' HG22 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.492 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.765 ' HB2' HD13 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.664 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.971 -0.451 . . . . 1.0 111.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -121.82 126.97 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -91.49 145.71 31.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.65 157.36 47.51 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.726 2.284 . . . . 1.0 112.456 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.429 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 27.3 m-85 -98.99 7.6 45.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.946 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 25.2 m 68.4 95.33 0.07 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.283 -0.871 . . . . 1.0 109.743 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt 68.49 178.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.378 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t -73.88 94.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.683 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' -1' ' ' PHE . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.701 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.676 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 8' ' ' ILE . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 32' ' ' ILE . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' H ' HG22 ' A' ' 36' ' ' ILE . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.524 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.573 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.647 -0.581 . . . . 1.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.3 tp -108.87 151.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -54.71 142.93 51.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.557 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.43 ' HD2' ' O ' ' A' ' 18' ' ' GLN . 80.7 Cg_exo -45.94 104.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.489 2.793 . . . . 1.0 113.011 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -98.74 81.1 2.61 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.506 0.669 . . . . 1.0 110.036 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.718 ' H ' ' HB2' ' A' ' 3' ' ' ALA . 2.2 m -87.85 157.94 18.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.288 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.7 mpt? -70.96 -4.28 23.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.66 0.743 . . . . 1.0 110.385 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.4 43.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.718 ' HB2' ' H ' ' A' ' 0' ' ' THR . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' HD13 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' A' ' -2' ' ' PRO . 79.2 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.606 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.718 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 25' ' ' VAL . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.607 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.633 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.718 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.578 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.633 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.844 -0.502 . . . . 1.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 42.4 pt -89.39 151.95 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 38.9 t70 -78.02 119.12 76.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.109 178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 17.0 Cg_exo -66.9 114.93 3.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.847 2.365 . . . . 1.0 112.103 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -80.99 132.68 35.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.255 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 61.0 m -70.14 115.68 9.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.449 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp 55.49 -150.77 0.41 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.04 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.54 93.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 173.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.601 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.487 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.805 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.486 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.575 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.607 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.757 ' HB2' HD23 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.7 t30 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.601 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.587 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 32' ' ' ILE . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.587 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.501 -0.24 . . . . 1.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -121.47 147.43 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -77.82 118.16 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.622 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.93 116.94 4.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.596 2.198 . . . . 1.0 109.803 170.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -71.42 127.78 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.467 -172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.8 m -64.36 -54.86 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.823 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttp -71.09 155.31 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p -59.1 107.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.907 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 10' ' ' ILE . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 8' ' ' ILE . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.543 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 33' ' ' ARG . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 38' ' ' GLU . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 36' ' ' ILE . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.557 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.907 ' HB2' HD21 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.44 ' CE ' HD13 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.054 -0.418 . . . . 1.0 112.054 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.98 121.71 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.406 -0.22 . . . . 1.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.45 145.29 94.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.47 141.9 82.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.518 2.146 . . . . 1.0 111.119 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -114.02 106.94 15.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.023 0.439 . . . . 1.0 111.369 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 1' ' ' MET . 9.8 t -154.2 -30.33 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.192 175.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' HG23 ' A' ' 0' ' ' THR . 26.4 mmt -119.54 132.7 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 109.694 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t 56.62 55.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.586 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' HG2' ' A' ' 15' ' ' LYS . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' HG12 ' A' ' 13' ' ' VAL . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.617 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 62' ' ' LEU . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' GLU . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 36' ' ' ILE . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.624 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.526 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.734 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HE2' ' HG ' ' A' ' 29' ' ' CYS . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -88.47 124.21 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.26 116.78 19.12 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 123.533 0.52 . . . . 1.0 111.098 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -70.05 127.6 14.59 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.671 2.248 . . . . 1.0 112.077 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 1' ' ' MET . 45.8 p90 -114.03 20.07 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.615 -177.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 85.2 m 75.94 -17.32 0.53 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.801 -0.636 . . . . 1.0 112.065 175.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' CE2' ' A' ' -1' ' ' PHE . 71.8 mtm 70.67 -74.39 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.163 0.585 . . . . 1.0 110.755 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -85.37 78.7 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' HB ' ' A' ' 0' ' ' THR . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 17' ' ' MET . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.838 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.696 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 38' ' ' GLU . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 36' ' ' ILE . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.431 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.838 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.793 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.438 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.372 -0.691 . . . . 1.0 111.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 12.8 tt -121.27 119.62 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.255 0.55 . . . . 1.0 110.59 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 t70 -80.56 124.96 81.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.35 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.552 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.5 Cg_exo -76.41 18.78 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.415 2.743 . . . . 1.0 113.748 -174.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' A' ' 1' ' ' MET . 82.9 t80 67.68 85.96 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.564 0.579 . . . . 1.0 112.564 169.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 81.8 p 55.97 14.56 1.44 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.794 1.035 . . . . 1.0 113.794 171.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.552 ' O ' ' HB2' ' A' ' -2' ' ' PRO . 26.3 ptt? 179.63 -169.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -177.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 2' ' ' VAL . 6.8 p -98.5 85.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 171.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 19' ' ' PHE . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.649 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 32' ' ' ILE . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.698 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.572 HD11 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HB2' HD12 ' A' ' 36' ' ' ILE . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 38' ' ' GLU . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 36' ' ' ILE . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD22 ' HE3' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.639 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.571 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.694 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.483 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.421 ' HE3' HD22 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 18' ' ' GLN . 15.9 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.566 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 32' ' ' ILE . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.48 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.673 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.269 0.557 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.629 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 18' ' ' GLN . 18.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.729 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.71 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 38' ' ' GLU . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' H ' HG22 ' A' ' 36' ' ' ILE . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD12 HG13 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.625 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.672 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.71 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.505 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.672 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.805 HD22 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.824 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.653 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 27.8 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.618 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.449 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB2' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.786 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 62' ' ' LEU . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.549 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HD13 ' A' ' 51' ' ' LEU . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.805 ' HA ' HD22 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.646 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.824 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' HD21 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 25' ' ' VAL . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.779 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.94 0.4 . . . . 1.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.682 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 81' ' ' TYR . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.911 HG13 HD12 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.755 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.467 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.73 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 36' ' ' ILE . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.911 HD12 HG13 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.508 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.682 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.539 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 61' ' ' TRP . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.55 0.691 . . . . 1.0 109.936 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.644 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.923 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG11 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' HG11 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 14.1 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.799 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 38' ' ' GLU . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.531 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.799 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.923 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.776 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.776 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.557 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' H ' ' A' ' 38' ' ' GLU . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.75 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.75 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.558 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.887 ' HB2' HD23 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.632 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 121.63 0.728 . . . . 1.0 112.802 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.689 HG13 HD11 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.689 HD11 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.648 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 25' ' ' VAL . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.598 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.609 HD11 HD21 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.91 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HB3' ' HE3' ' A' ' 17' ' ' MET . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.82 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG13 HD12 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.761 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' H ' HG22 ' A' ' 36' ' ' ILE . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 37' ' ' PRO . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.62 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.63 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD12 HG13 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.618 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.567 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.605 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.91 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB3' HG21 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.743 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.743 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.548 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' MET . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.782 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.782 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.76 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.57 ' HA ' HD22 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.923 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 81' ' ' TYR . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.627 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.677 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.716 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 10' ' ' ILE . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 38' ' ' GLU . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.463 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD12 HG13 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 73' ' ' LEU . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB2' HD23 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.468 ' HG3' HD23 ' A' ' 6' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.716 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.611 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.409 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.892 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.715 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.561 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' H ' ' A' ' 38' ' ' GLU . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HA ' HD23 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 36' ' ' ILE . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 25' ' ' VAL . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HB2' ' HG3' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.892 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.88 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.702 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HB3' HG22 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.492 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.765 ' HB2' HD13 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.664 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.683 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.701 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.676 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 8' ' ' ILE . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 32' ' ' ILE . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' H ' HG22 ' A' ' 36' ' ' ILE . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.524 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.573 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' HD13 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.606 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.718 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 25' ' ' VAL . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.607 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.633 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.718 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.578 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.633 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.601 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.487 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.805 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.486 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.575 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.607 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.757 ' HB2' HD23 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.545 HD22 ' HB2' ' A' ' 5' ' ' SER . 22.5 t-20 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.601 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.587 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 32' ' ' ILE . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.587 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.907 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 10' ' ' ILE . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 8' ' ' ILE . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.543 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.604 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 33' ' ' ARG . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 38' ' ' GLU . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 36' ' ' ILE . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.557 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.907 ' HB2' HD21 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.44 ' CE ' HD13 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.586 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.443 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' HG2' ' A' ' 15' ' ' LYS . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' HG12 ' A' ' 13' ' ' VAL . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.617 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 62' ' ' LEU . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' GLU . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 36' ' ' ILE . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.624 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.526 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.734 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HE2' ' HG ' ' A' ' 29' ' ' CYS . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 17' ' ' MET . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.838 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.696 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 38' ' ' GLU . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 36' ' ' ILE . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.431 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.838 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.793 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.438 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 2' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 19' ' ' PHE . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.649 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 32' ' ' ILE . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.698 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.572 HD11 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HB2' HD12 ' A' ' 36' ' ' ILE . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 38' ' ' GLU . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 36' ' ' ILE . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD22 ' HE3' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.639 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.571 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.694 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.483 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.421 ' HE3' HD22 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.798 -0.521 . . . . 1.0 111.798 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' -4' ' ' ILE . 0.2 OUTLIER -132.78 147.42 31.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.82 0.31 . . . . 1.0 110.946 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 29.4 t70 -68.22 121.25 79.54 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.46 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.807 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 3.1 Cg_exo -77.71 151.15 28.13 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.415 2.743 . . . . 1.0 113.199 -177.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.1 p90 178.86 16.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.201 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 1.4 m -78.02 118.98 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.307 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt 57.03 -134.06 1.27 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.06 110.51 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.277 0.56 . . . . 1.0 109.886 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.41 141.37 48.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.642 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.39 103.02 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.979 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -87.91 103.66 15.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.311 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.39 152.48 25.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.227 0.536 . . . . 1.0 110.672 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -91.02 104.45 17.04 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.941 -0.762 . . . . 1.0 108.941 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -85.35 117.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.641 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 41.9 t -100.71 114.77 28.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.287 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 32' ' ' ILE . 83.0 mt -114.35 99.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.613 -0.884 . . . . 1.0 108.613 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.28 -93.54 0.29 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.932 -0.652 . . . . 1.0 111.727 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -121.7 1.03 9.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.947 0.403 . . . . 1.0 110.169 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.81 107.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.581 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -101.8 110.24 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.931 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -119.72 122.14 40.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.963 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 m -70.15 109.42 4.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.9 mmm -112.62 139.26 48.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 18' ' ' GLN . 15.9 mt-30 -97.54 117.68 32.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.66 154.37 27.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.345 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.807 ' HG2' ' HB3' ' A' ' -2' ' ' PRO . 69.5 mm-40 -79.49 146.1 65.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 174.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.33 -40.73 46.89 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.401 2.067 . . . . 1.0 113.178 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -85.82 9.48 16.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.757 0.313 . . . . 1.0 111.218 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 54.6 m -71.04 128.81 37.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.232 0.539 . . . . 1.0 111.05 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.566 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.7 mmm -75.61 156.94 34.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.852 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 49' ' ' LEU . 69.7 t -61.71 -41.0 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 111.991 0.367 . . . . 1.0 111.991 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 40.4 p90 -67.62 -26.7 66.37 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.385 0.612 . . . . 1.0 110.251 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 24.0 t0 -81.22 -34.84 31.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.018 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.107 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.3 t -60.82 -42.37 97.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.114 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 32.4 ttm180 -57.04 -33.4 67.17 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.739 176.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.84 -44.68 54.87 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.053 -0.522 . . . . 1.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 10' ' ' ILE . 18.2 mt -66.13 -47.05 86.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.633 -0.427 . . . . 1.0 111.268 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 27.0 ptt180 -52.95 -35.67 58.96 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.403 0.62 . . . . 1.0 110.442 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 57.5 mt-10 -84.09 -29.7 26.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.673 -0.694 . . . . 1.0 112.175 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -94.3 -33.24 13.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.114 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 32' ' ' ILE . 40.3 mt -124.64 120.93 25.77 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.11 -20.76 21.27 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 122.538 2.159 . . . . 1.0 112.326 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -68.26 -22.99 64.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.61 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -59.73 -23.5 63.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.407 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -88.45 27.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.061 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.43 -11.66 60.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.471 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -165.74 -166.84 25.43 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.793 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 14.1 Cg_exo -67.97 142.8 58.0 Favored 'Trans proline' 0 CA--C 1.511 -0.672 0 C-N-CA 122.966 2.444 . . . . 1.0 112.566 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 25.7 Cg_exo -62.19 -34.29 79.21 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.576 2.184 . . . . 1.0 113.476 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.75 -13.74 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.176 0.512 . . . . 1.0 110.296 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.28 -31.91 55.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.673 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 20.0 m-85 -93.17 176.06 6.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.106 -0.952 . . . . 1.0 109.606 173.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.96 173.81 46.05 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 1.0 112.307 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 25' ' ' VAL . 69.0 mt -90.89 125.91 35.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.969 0.414 . . . . 1.0 110.37 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 59' ' ' GLY . 84.0 t80 -115.12 109.61 18.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -65.86 117.2 7.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.741 -0.836 . . . . 1.0 108.741 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 m -94.97 132.89 39.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.304 0.573 . . . . 1.0 110.835 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -116.35 -160.14 0.75 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.57 -27.06 29.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.388 0.613 . . . . 1.0 109.568 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -114.88 137.06 22.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.488 -0.778 . . . . 1.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.21 -25.61 80.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.993 2.462 . . . . 1.0 113.425 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -84.59 -11.68 55.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 1.0 110.78 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -89.62 -12.02 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.378 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 50' ' ' PHE . . . -74.69 131.41 12.83 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.962 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.5 pt -122.26 159.84 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.927 0.394 . . . . 1.0 111.277 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -92.41 118.1 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.85 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 51' ' ' LEU . 7.0 mp -70.15 127.59 33.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.792 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 46.4 mt-10 -76.81 134.86 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.498 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -52.89 -34.33 54.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.075 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 2.53 85.31 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.856 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.8 mmtm -108.62 168.21 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -104.14 167.54 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 1.0 110.917 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.24 -45.67 72.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.066 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.13 -31.21 69.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.36 0.6 . . . . 1.0 110.414 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -60.86 -28.01 68.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.205 -0.907 . . . . 1.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 30.1 m-85 -98.29 18.11 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.992 -176.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt 63.84 25.84 14.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.654 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 62' ' ' LEU . 92.6 mt -72.79 144.65 47.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 1.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -135.99 174.46 10.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.239 -176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -76.46 114.08 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 1.0 110.02 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.7 -13.99 9.9 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.772 -0.727 . . . . 1.0 112.012 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.09 161.17 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 1.0 110.92 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 m -112.7 133.65 54.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.957 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 30.0 ttp -135.2 130.26 35.01 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' SER . 22.3 tt0 -101.95 105.5 16.29 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.156 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -75.7 103.71 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.473 -0.936 . . . . 1.0 108.473 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -137.77 172.59 12.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.195 -0.912 . . . . 1.0 110.297 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.6 tttp -74.58 139.68 43.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.926 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -76.56 142.47 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.801 -0.814 . . . . 1.0 108.801 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.189 -0.91 . . . . 1.0 112.109 -178.121 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 69.0 mt -98.97 112.92 32.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.081 0.467 . . . . 1.0 109.904 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -78.16 151.62 78.66 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.576 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.47 -32.58 59.53 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.175 . . . . 1.0 111.383 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -92.67 159.05 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 1.0 109.632 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 3.2 t -157.03 87.87 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.963 0.411 . . . . 1.0 111.023 -176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm 68.29 -64.75 0.29 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.685 -0.689 . . . . 1.0 111.381 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 p -134.58 119.9 30.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.032 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.66 174.15 9.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.436 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -113.54 103.32 11.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.262 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 49.4 m -93.56 103.21 15.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.497 . . . . 1.0 110.652 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.6 mp -117.4 160.84 20.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.24 117.59 30.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.641 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 32' ' ' ILE . 46.0 mm -99.42 118.0 45.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.924 0.392 . . . . 1.0 110.808 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.629 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 17.8 t -103.05 101.32 11.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.629 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.13 93.64 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.244 -1.021 . . . . 1.0 108.244 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -98.82 1.95 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 -171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -126.04 -12.12 6.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.284 0.564 . . . . 1.0 110.073 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.62 115.08 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.287 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -95.68 127.29 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.249 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -118.0 130.26 56.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.203 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -76.75 117.12 18.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.0 mmm -129.99 138.27 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.909 0.385 . . . . 1.0 110.871 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 18' ' ' GLN . 18.9 mt-30 -105.86 116.48 32.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.992 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.15 172.87 6.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.028 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 38.3 mt-10 -106.51 141.62 23.18 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.86 -38.5 92.41 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.411 2.074 . . . . 1.0 112.12 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -81.44 7.55 11.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.687 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.8 m -87.21 133.31 33.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.921 0.391 . . . . 1.0 110.764 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.729 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 92.0 mtp -78.55 154.89 30.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.637 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 HD12 ' A' ' 49' ' ' LEU . 84.1 t -60.93 -39.63 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 -174.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.71 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 7.1 p90 -64.58 -29.96 70.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 1.0 109.831 178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 21.5 t70 -81.4 -30.98 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.771 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.07 79.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.019 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -60.46 -38.3 83.78 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.928 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 50.5 ttp85 -61.34 -43.44 98.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.315 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.6 mtp -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.303 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 8' ' ' ILE . 24.8 mm -75.1 -48.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.258 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 21.5 ptt180 -70.47 -30.45 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.42 -31.17 33.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.858 -0.526 . . . . 1.0 111.501 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 1.9 tmt_? -88.4 -40.28 13.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.965 0.412 . . . . 1.0 110.007 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 38' ' ' GLU . 50.6 mm -117.57 119.99 33.61 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.306 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HA ' HD23 ' A' ' 40' ' ' LEU . 63.3 Cg_endo -74.67 -16.91 20.86 Favored 'Trans proline' 0 N--CA 1.473 0.271 0 C-N-CA 122.984 2.456 . . . . 1.0 111.392 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' H ' HG22 ' A' ' 36' ' ' ILE . 55.3 mt-10 -65.05 -25.44 67.82 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.995 -1.002 . . . . 1.0 111.105 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -72.63 -20.03 61.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.762 -0.653 . . . . 1.0 111.927 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.6 mm? -79.94 100.89 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -176.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.568 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -141.02 21.92 2.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.426 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.31 -156.76 26.85 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.525 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.24 144.33 46.04 Favored 'Trans proline' 0 CA--C 1.507 -0.873 0 C-N-CA 122.78 2.32 . . . . 1.0 112.03 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 -24.13 54.12 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 121.945 1.764 . . . . 1.0 112.403 -172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -83.9 -3.3 57.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.335 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.24 -20.58 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.692 -0.855 . . . . 1.0 108.692 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 76.4 m-85 -108.72 159.42 16.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.721 -1.127 . . . . 1.0 109.482 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.21 176.83 35.13 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.754 -0.736 . . . . 1.0 111.936 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD12 HG13 ' A' ' 25' ' ' VAL . 64.9 mt -95.33 124.47 39.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.122 0.487 . . . . 1.0 110.527 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 83.1 t80 -112.57 110.7 21.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.233 -179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.3 tt -67.3 114.73 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.134 -0.691 . . . . 1.0 109.134 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -93.42 131.95 38.13 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.188 0.518 . . . . 1.0 110.818 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -113.44 173.35 6.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.33 -17.48 61.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.945 0.402 . . . . 1.0 110.042 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD2' ' HG2' ' A' ' 57' ' ' LYS . 35.6 t70 -118.52 126.53 27.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -55.45 -37.44 94.86 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.538 2.825 . . . . 1.0 114.541 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.625 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 25.2 pttm -78.32 -5.81 53.25 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.46 -0.496 . . . . 1.0 111.177 -174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.16 -11.7 37.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.975 0.417 . . . . 1.0 110.116 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.43 138.72 24.57 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 1.0 112.18 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 pt -133.25 154.78 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.806 0.336 . . . . 1.0 111.276 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.672 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 96.1 m95 -84.95 129.74 34.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.988 173.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -77.43 136.83 38.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.702 0.287 . . . . 1.0 110.296 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.76 125.67 28.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.563 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.71 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.86 -35.23 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.614 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.99 4.44 75.56 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.065 -0.588 . . . . 1.0 113.242 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -105.3 170.78 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 1.0 109.7 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.52 160.12 14.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.824 0.345 . . . . 1.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.65 -39.9 84.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.848 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.31 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.914 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 38.2 t80 -56.69 -39.94 74.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.668 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -84.44 -2.97 58.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.002 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.8 mtp 58.16 42.94 21.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.688 -0.687 . . . . 1.0 111.391 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.8 mt -68.69 148.17 50.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.716 -0.674 . . . . 1.0 109.971 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -138.85 170.6 15.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.657 0.265 . . . . 1.0 110.441 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' SER . 70.7 m-20 -60.05 130.15 45.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.221 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.09 -18.2 36.79 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.278 -0.963 . . . . 1.0 113.215 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.98 154.88 37.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.195 0.498 . . . . 1.0 110.8 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.7 m -113.7 131.66 56.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.632 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.505 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 45.0 mtm -129.98 137.27 50.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.92 174.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 43.7 mt-10 -91.72 109.4 20.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.239 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.482 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 38.5 t80 -79.56 103.23 9.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 167.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.8 ptm180 -149.44 171.26 16.87 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.22 -170.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -58.23 117.91 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.672 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptmm? -76.1 153.75 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.024 0.44 . . . . 1.0 111.121 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.42 -0.8 . . . . 1.0 109.353 179.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.183 -0.367 . . . . 1.0 112.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.83 127.95 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -86.6 139.99 33.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 1.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -80.17 -16.18 11.16 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.7 2.267 . . . . 1.0 113.782 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 25.5 t80 66.3 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 122.659 0.384 . . . . 1.0 110.281 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 22.0 p -147.36 117.91 7.49 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt 63.69 -160.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.546 0.529 . . . . 1.0 109.964 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.1 p -83.34 82.09 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.278 1.037 . . . . 1.0 109.145 171.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 18' ' ' GLN . . . -62.38 147.47 48.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.701 -1.136 . . . . 1.0 113.332 -169.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.805 HD22 ' HA ' ' A' ' 74' ' ' ARG . 69.7 mt -99.25 107.16 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.635 -1.166 . . . . 1.0 109.045 175.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB3' ' OD1' ' A' ' 75' ' ' ASN . 5.5 t -92.38 103.5 15.93 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 77' ' ' ASP . 6.9 mp -110.01 148.31 31.9 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.966 0.412 . . . . 1.0 110.766 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -81.26 103.42 11.02 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.038 -1.097 . . . . 1.0 108.038 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 79' ' ' MET . 46.4 mm -88.24 105.29 15.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.234 0.54 . . . . 1.0 110.417 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.824 ' HB2' ' HG2' ' A' ' 80' ' ' GLU . 58.2 m -83.7 101.34 11.48 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.496 -0.775 . . . . 1.0 110.341 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.06 99.15 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.85 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.2 -85.82 0.4 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 1.0 112.041 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -131.21 -4.44 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.601 0.239 . . . . 1.0 111.19 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG11 ' HE2' ' A' ' 15' ' ' LYS . 60.8 t -109.36 132.65 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 1.0 111.007 -176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 112.05 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.055 0.455 . . . . 1.0 110.116 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.653 ' HG3' HD13 ' A' ' 36' ' ' ILE . 73.5 mmtt -106.71 112.96 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.757 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.7 m -86.55 109.79 19.36 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ttp -131.37 167.49 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 27.8 mt-30 -115.73 125.66 53.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.981 0.419 . . . . 1.0 111.315 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -110.64 -178.69 3.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.261 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -105.37 148.29 36.05 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.6 -32.34 96.49 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 121.966 1.777 . . . . 1.0 111.389 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -82.9 0.35 44.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.001 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.0 m -74.51 125.87 29.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.834 0.35 . . . . 1.0 111.066 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 90.3 mmm -67.39 149.79 49.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.645 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 49' ' ' LEU . 54.7 t -57.08 -43.99 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.922 0.341 . . . . 1.0 111.922 -177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.618 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.1 p90 -70.46 -22.99 62.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.0 110.832 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.8 t70 -81.08 -31.11 34.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 1.0 109.845 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -44.61 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 24.3 p -68.72 -27.08 65.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.069 0.461 . . . . 1.0 109.981 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -66.1 -40.77 91.03 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.98 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.449 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 65.8 mtt -59.41 -41.59 89.83 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.786 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG22 ' HB2' ' A' ' 39' ' ' ALA . 23.7 mm -60.05 -38.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.738 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 37.0 mtt180 -71.8 -34.48 69.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.353 0.501 . . . . 1.0 112.353 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 2.3 pt-20 -81.31 -30.94 33.78 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.346 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 8.2 mmt180 -88.89 -37.45 15.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 1.0 110.911 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' A' ' 15' ' ' LYS . 49.8 mt -119.99 124.88 27.62 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.218 -176.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.3 -18.8 17.81 Favored 'Trans proline' 0 CA--C 1.519 -0.253 0 C-N-CA 122.709 2.273 . . . . 1.0 111.479 -175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 19.7 mm-40 -68.11 -22.72 64.88 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.292 -175.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.727 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -68.98 -19.64 64.15 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.839 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -93.43 89.44 6.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.569 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.39 28.74 1.32 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.283 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.27 175.4 31.22 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 1.0 112.211 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 32.1 Cg_endo -63.32 152.21 81.06 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.87 2.38 . . . . 1.0 112.305 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 26.6 Cg_exo -61.95 -34.08 82.06 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.442 2.095 . . . . 1.0 113.362 -169.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -86.6 -0.93 57.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.971 0.415 . . . . 1.0 111.007 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.5 t70 -91.4 -13.8 31.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.462 0.649 . . . . 1.0 109.801 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -112.68 150.93 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 1.0 109.612 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.83 31.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.16 -1.019 . . . . 1.0 112.585 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.786 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.67 119.03 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.95 0.405 . . . . 1.0 110.176 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -108.47 105.98 15.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.262 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 62' ' ' LEU . 34.0 tp -65.05 115.97 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -93.3 143.87 25.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.245 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.33 162.47 38.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -61.26 -33.28 73.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.269 0.557 . . . . 1.0 109.774 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.16 120.74 71.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.612 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.44 -20.49 61.07 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.83 2.353 . . . . 1.0 113.179 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -91.6 -12.58 33.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.914 0.387 . . . . 1.0 110.381 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -87.94 -8.45 55.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.579 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -72.32 111.74 3.71 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.359 -0.696 . . . . 1.0 111.359 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.98 150.74 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.915 0.388 . . . . 1.0 111.647 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.549 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.2 m95 -84.4 122.49 29.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.568 174.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 51' ' ' LEU . 17.0 mt -76.05 142.6 41.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.797 0.332 . . . . 1.0 110.768 -174.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -86.88 134.48 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.909 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.29 -35.98 63.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.747 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.13 3.24 53.18 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.933 -0.651 . . . . 1.0 113.353 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 72.5 mmtt -110.1 167.69 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.69 171.95 7.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.753 0.311 . . . . 1.0 110.297 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.2 -35.52 68.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.805 0.336 . . . . 1.0 111.103 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -70.88 -21.69 62.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.2 0.524 . . . . 1.0 110.002 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.18 -41.58 84.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.316 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -92.82 14.1 18.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.8 . . . . 1.0 111.321 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.0 mtt 63.15 28.74 16.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.925 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD21 HD13 ' A' ' 51' ' ' LEU . 74.7 mt -68.78 147.96 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.619 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.805 ' HA ' HD22 ' A' ' 4' ' ' LEU . 64.6 mtt180 -148.12 179.44 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.032 0.444 . . . . 1.0 111.076 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.646 ' OD1' ' HB3' ' A' ' 5' ' ' SER . 28.6 t30 -62.43 119.51 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.483 -0.781 . . . . 1.0 110.815 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.25 -17.81 14.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 1.0 112.909 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 4.6 m-20 -67.72 161.38 26.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 1.0 111.079 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -121.53 129.75 53.1 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 49' ' ' LEU . 40.8 ttp -136.18 131.87 35.19 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.829 -0.434 . . . . 1.0 109.829 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.824 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 48.2 mt-10 -92.07 104.05 16.48 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.939 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 32' ' ' ILE . 53.4 t80 -81.59 104.61 12.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.915 -1.143 . . . . 1.0 107.915 167.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.3 ptm180 -148.37 171.08 16.59 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.824 -172.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 88.1 tttt -65.04 117.58 7.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.767 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 21.0 ptmt -90.58 129.96 36.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.136 0.493 . . . . 1.0 110.52 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.272 -0.87 . . . . 1.0 109.612 -178.363 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.634 -0.586 . . . . 1.0 111.634 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.776 ' H ' HD13 ' A' ' -4' ' ' ILE . 0.2 OUTLIER -93.26 160.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.041 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -81.67 134.65 50.33 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.026 -0.361 . . . . 1.0 110.026 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.89 -35.79 72.05 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.789 2.993 . . . . 1.0 114.672 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -159.28 -38.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.591 -0.444 . . . . 1.0 111.984 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 24.1 m 73.33 -56.56 0.65 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.196 0.598 . . . . 1.0 111.901 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm -138.41 -160.63 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.15 75.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 174.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 127.25 32.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.058 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.33 108.1 9.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.367 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.7 m -97.12 102.43 14.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 1.0 110.621 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.8 mp -107.56 159.54 16.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.104 0.478 . . . . 1.0 111.214 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -88.15 103.9 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.479 -0.934 . . . . 1.0 108.479 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 79' ' ' MET . 51.4 mm -91.1 111.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.116 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 t -92.25 101.06 13.55 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.92 -0.582 . . . . 1.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 39' ' ' ALA . 35.9 mt -91.46 93.33 4.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.404 -0.961 . . . . 1.0 108.404 176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.96 -98.91 0.9 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 -169.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -122.66 3.07 9.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.206 0.526 . . . . 1.0 110.247 172.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.9 103.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.426 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.4 t -87.27 121.27 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.572 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -122.97 137.3 54.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.847 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -85.77 106.86 17.32 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.536 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 90.1 mmm -116.52 144.61 44.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.861 -176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 48.5 mt-30 -112.32 119.91 39.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.387 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -115.87 176.55 5.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -101.58 150.22 37.09 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.916 -0.401 . . . . 1.0 109.916 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 -38.19 83.41 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.319 2.013 . . . . 1.0 112.491 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 p -81.72 -4.58 56.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 112.094 -175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.1 m -68.36 128.63 37.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.966 0.412 . . . . 1.0 111.375 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 56.8 mtm -76.66 153.98 34.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.058 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 49' ' ' LEU . 70.8 t -58.25 -47.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.123 0.416 . . . . 1.0 112.123 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.3 p90 -65.19 -28.28 69.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.378 0.608 . . . . 1.0 110.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -78.99 -37.2 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 1.0 110.078 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.83 76.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.412 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 84.2 m -59.69 -43.92 93.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.571 0.7 . . . . 1.0 109.182 172.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -66.48 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.904 -1.044 . . . . 1.0 110.837 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.7 mtp -63.46 -32.93 74.51 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.284 -0.26 . . . . 1.0 110.979 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.536 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 10.9 mm -65.22 -49.86 76.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.789 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -67.01 -28.17 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.467 0.173 . . . . 1.0 111.467 -178.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 42.7 mm-40 -63.78 -50.4 69.18 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.875 0.369 . . . . 1.0 111.011 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -85.39 -31.35 22.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.014 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.43 103.3 29.08 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.898 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -72.4 -17.36 27.16 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 C-N-CA 122.618 2.212 . . . . 1.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.56 -28.4 68.49 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.164 -1.38 . . . . 1.0 110.51 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -88.81 7.37 34.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.134 -0.484 . . . . 1.0 112.213 -176.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -70.75 -71.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.776 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . 66.48 -62.78 0.27 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.862 0.726 . . . . 1.0 112.511 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.35 -150.52 5.23 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.217 -0.515 . . . . 1.0 112.246 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.26 139.66 46.6 Favored 'Trans proline' 0 CA--C 1.512 -0.625 0 C-N-CA 122.867 2.378 . . . . 1.0 113.087 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.48 -37.69 69.03 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.6 2.2 . . . . 1.0 114.203 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -74.01 -11.63 60.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.136 0.493 . . . . 1.0 111.095 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -80.31 -10.64 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.002 0.43 . . . . 1.0 110.125 175.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 64.6 m-85 -114.61 155.39 26.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.721 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.34 179.33 35.01 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 1.0 112.563 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 86.4 mt -100.95 121.21 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.205 0.526 . . . . 1.0 110.381 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 89.0 t80 -113.81 104.91 12.67 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.809 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' HD21 ' A' ' 62' ' ' LEU . 57.7 tp -67.89 102.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 p -83.3 159.21 21.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.483 0.659 . . . . 1.0 111.847 -173.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 37.0 t0 -141.01 42.21 1.81 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 69.42 -60.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.575 -1.193 . . . . 1.0 111.211 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.58 131.13 62.07 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.39 -22.1 73.63 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.131 2.554 . . . . 1.0 113.7 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -92.04 -16.68 26.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.11 0.481 . . . . 1.0 110.406 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 74.4 mmtt -84.42 -12.36 54.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.364 0.602 . . . . 1.0 109.661 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.95 161.03 29.04 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.536 -0.756 . . . . 1.0 112.099 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -135.64 147.05 28.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.689 0.28 . . . . 1.0 111.01 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 84' ' ' LYS . 97.4 m95 -83.8 129.18 34.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' HG21 ' A' ' 25' ' ' VAL . 16.4 mt -82.22 139.34 34.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.243 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.07 136.31 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.922 -177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -59.25 -37.34 77.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.499 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.83 2.88 82.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.977 -0.63 . . . . 1.0 113.318 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -105.89 159.94 15.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.779 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.07 169.2 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.79 0.328 . . . . 1.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.68 -33.16 72.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.091 0.472 . . . . 1.0 110.218 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.15 -33.92 74.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.754 . . . . 1.0 110.562 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -54.84 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.723 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -95.14 9.5 39.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.164 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.5 mtm 55.76 44.88 25.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.508 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 6' ' ' LEU . 81.3 mt -74.48 138.72 43.39 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -137.17 -175.69 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.465 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 5' ' ' SER . 43.6 t30 -72.88 120.57 18.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.158 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.97 -16.79 30.27 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.639 -0.791 . . . . 1.0 112.927 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.96 149.17 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.609 0.242 . . . . 1.0 110.394 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -106.41 130.64 54.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.677 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.515 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 33.1 ttp -142.07 135.69 29.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 1.0 110.406 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 1.9 mm-40 -93.7 105.11 17.17 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 32' ' ' ILE . 83.7 t80 -81.4 104.89 12.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 166.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -150.39 170.92 17.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.531 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.9 tttt -67.61 128.54 36.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.389 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 61' ' ' TRP . 12.1 ptmm? -102.91 150.31 23.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.526 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.14 -0.933 . . . . 1.0 109.314 177.332 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.76 -0.536 . . . . 1.0 111.76 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 37.9 pt -94.01 170.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 6.1 p-10 -86.33 141.4 34.69 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 27.6 Cg_exo -62.68 117.93 4.83 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.559 2.172 . . . . 1.0 112.194 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -103.06 146.7 27.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 1' ' ' MET . 14.2 m -101.06 102.75 13.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.927 0.394 . . . . 1.0 110.785 -174.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 0' ' ' THR . 4.7 mpp? 64.63 -93.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.685 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.6 152.41 4.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.506 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.99 172.64 15.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.349 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 73' ' ' LEU . 34.3 mt -123.25 103.18 8.37 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.68 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.682 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.1 m -93.92 101.51 13.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.175 0.512 . . . . 1.0 110.792 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -122.82 163.19 20.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.21 0.529 . . . . 1.0 111.298 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -96.33 120.13 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.332 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.6 mm -110.27 117.49 54.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.926 0.393 . . . . 1.0 110.764 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -98.93 113.59 25.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.083 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 81' ' ' TYR . 4.6 mp -108.85 94.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.404 . . . . 1.0 110.001 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -65.33 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.271 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -148.13 -34.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.0 110.485 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.8 125.55 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.871 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -107.33 115.42 48.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' HD13 ' A' ' 36' ' ' ILE . 72.1 mmtt -108.52 143.25 37.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.949 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.7 m -91.08 102.29 15.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 94.8 mmm -110.16 138.46 46.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.004 0.43 . . . . 1.0 111.13 -173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -103.83 108.69 20.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.825 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -97.85 -178.12 3.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.884 . . . . 1.0 108.976 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.9 mt-10 -117.56 149.69 45.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.266 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 4' ' ' LEU . 10.3 Cg_exo -72.33 22.9 0.27 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.304 2.669 . . . . 1.0 113.334 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -139.59 5.83 2.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.067 0.461 . . . . 1.0 110.158 174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.8 m -74.8 131.14 40.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.016 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 32.3 mmt -71.93 147.57 46.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 175.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.911 HG13 HD12 ' A' ' 49' ' ' LEU . 77.1 t -60.14 -42.94 91.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 111.699 0.259 . . . . 1.0 111.699 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.755 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 15.8 p90 -65.92 -26.12 67.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.142 0.496 . . . . 1.0 110.392 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -43.32 18.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.96 -0.563 . . . . 1.0 109.614 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.95 89.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.183 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 14.7 p -66.26 -30.89 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.175 0.512 . . . . 1.0 110.083 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 56.0 ttt180 -77.65 -34.82 52.99 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.901 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.467 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 85.5 mtp -52.3 -38.17 57.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.202 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 36' ' ' ILE . 43.5 mm -62.72 -55.2 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.4 ptp180 -68.85 -29.56 67.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.365 0.505 . . . . 1.0 112.365 -173.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 74.1 mm-40 -63.81 -47.82 79.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 1.0 110.678 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 31' ' ' MET . 11.0 mpt_? -87.0 -48.61 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.978 0.418 . . . . 1.0 110.802 -177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.73 HD13 ' HG3' ' A' ' 15' ' ' LYS . 19.7 mt -96.47 129.22 33.82 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.723 -0.672 . . . . 1.0 110.073 -174.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.88 -15.37 21.09 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 122.714 2.276 . . . . 1.0 111.885 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' H ' HG22 ' A' ' 36' ' ' ILE . 70.1 mm-40 -60.52 -40.6 92.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.291 -0.868 . . . . 1.0 111.339 -173.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 -4.32 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.357 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -86.59 97.69 10.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.155 0.503 . . . . 1.0 110.763 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.64 -59.0 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.466 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.2 156.8 15.86 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.42 156.36 41.76 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 122.836 2.357 . . . . 1.0 112.725 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.47 -3.19 8.56 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.743 2.295 . . . . 1.0 113.564 -171.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.2 -45.72 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.211 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -94.67 -3.22 49.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.819 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -100.66 142.96 31.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.22 162.21 28.75 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 119.74 -1.219 . . . . 1.0 113.304 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.911 HD12 HG13 ' A' ' 25' ' ' VAL . 96.0 mt -86.77 108.08 18.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.127 0.489 . . . . 1.0 109.931 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -96.6 116.77 29.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.825 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 6.9 tt -74.65 100.54 3.98 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.415 -0.958 . . . . 1.0 108.415 177.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -85.95 137.07 33.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.431 0.634 . . . . 1.0 111.816 -174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.64 165.03 25.38 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.168 -1.049 . . . . 1.0 108.168 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.12 -15.96 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.458 . . . . 1.0 110.422 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 58' ' ' LYS . 26.0 t70 -102.22 120.88 52.2 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.825 -0.625 . . . . 1.0 109.362 171.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.25 -24.21 78.49 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 123.042 2.495 . . . . 1.0 113.001 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 57.7 tptt -75.05 -22.79 58.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 55' ' ' ASP . 48.2 mmtm -85.66 -12.97 49.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.146 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.13 120.33 9.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 1.0 112.386 -177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.2 pt -128.69 147.64 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.791 0.329 . . . . 1.0 111.261 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.508 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 98.1 m95 -88.13 120.21 29.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.229 -0.442 . . . . 1.0 109.977 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.2 mt -70.68 134.22 47.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.39 -177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 45.6 mt-10 -72.83 126.95 31.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.882 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.755 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -49.94 -39.39 40.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.378 -0.828 . . . . 1.0 112.271 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.05 -2.71 88.14 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.673 -0.775 . . . . 1.0 113.61 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 31.5 mmtp -95.33 172.31 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.179 0.489 . . . . 1.0 110.762 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.17 159.77 14.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.921 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.14 -41.89 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.691 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.32 -24.41 66.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.165 0.507 . . . . 1.0 110.269 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.55 -30.53 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.464 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -90.34 5.52 46.97 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.401 -0.818 . . . . 1.0 111.179 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.6 mtp 59.65 24.93 13.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.776 -0.647 . . . . 1.0 112.213 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.1 pp -74.97 151.52 38.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.875 -0.417 . . . . 1.0 109.875 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.47 175.22 9.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.691 0.281 . . . . 1.0 110.535 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.682 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.3 p30 -59.79 121.52 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.853 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.56 -23.61 13.3 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.403 -0.903 . . . . 1.0 112.376 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.54 153.65 43.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.901 0.382 . . . . 1.0 110.562 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 m -116.83 130.13 56.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.942 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.539 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 31.0 mtp -122.44 138.0 54.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.778 175.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -108.24 104.28 13.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.947 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 29' ' ' CYS . 7.6 t80 -84.19 104.81 14.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.258 -0.645 . . . . 1.0 109.258 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 16.1 ptm180 -143.42 171.73 13.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.052 -171.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 35.9 ttpt -67.92 125.94 27.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.118 176.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 61' ' ' TRP . 8.4 mtpm? -72.22 143.32 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.259 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.613 -0.708 . . . . 1.0 109.794 177.399 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.2 pt -117.8 112.83 40.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.536 0.684 . . . . 1.0 111.591 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -92.12 139.4 24.32 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.093 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.68 7.65 0.69 Allowed 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.093 2.529 . . . . 1.0 113.568 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 70.3 99.27 0.06 Allowed 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.436 0.694 . . . . 1.0 110.852 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.61 HG22 ' SD ' ' A' ' 1' ' ' MET . 8.2 m -150.82 114.56 4.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.124 -177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.61 ' SD ' HG22 ' A' ' 0' ' ' THR . 1.1 mpt? 71.97 -67.7 0.25 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.495 0.718 . . . . 1.0 111.803 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.449 HG12 ' HD2' ' A' ' 21' ' ' PRO . 10.9 t -83.49 63.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.936 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.16 133.64 24.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.95 103.88 14.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.606 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.5 m -86.01 102.37 13.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.041 0.448 . . . . 1.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -114.44 156.44 24.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.066 0.46 . . . . 1.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -94.19 105.73 17.72 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.598 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.644 ' HA ' ' O ' ' A' ' 79' ' ' MET . 47.3 mm -90.0 109.14 20.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.632 -176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.923 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 11.5 t -90.23 107.01 18.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 67.6 mt -98.41 104.29 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.999 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.76 -81.23 0.53 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.175 -0.536 . . . . 1.0 112.577 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.78 0.97 2.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.631 0.253 . . . . 1.0 111.116 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG11 ' HE2' ' A' ' 15' ' ' LYS . 61.5 t -120.51 124.43 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.928 0.395 . . . . 1.0 111.101 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 24.9 t -88.65 123.41 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.275 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' HG11 ' A' ' 13' ' ' VAL . 71.7 mmtt -122.62 121.75 37.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.705 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -70.9 119.11 14.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.9 mmm -127.52 137.03 52.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.885 0.374 . . . . 1.0 110.666 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 14.1 mt-30 -100.88 119.74 39.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.621 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.03 -179.27 3.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.049 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 46.1 mt-10 -105.67 144.88 29.76 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 172.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' HG12 ' A' ' 2' ' ' VAL . 49.2 Cg_exo -56.6 -40.31 85.32 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.071 1.847 . . . . 1.0 111.874 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -73.28 -12.77 60.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.367 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 94.0 m -65.1 127.94 33.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.141 0.496 . . . . 1.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.799 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 58.1 mtm -79.41 156.21 28.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.363 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD12 ' A' ' 49' ' ' LEU . 81.4 t -56.45 -52.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.592 0.59 . . . . 1.0 112.592 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 6.7 p90 -64.08 -26.13 68.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.432 0.634 . . . . 1.0 110.121 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -78.68 -36.37 43.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 1.0 109.377 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.26 78.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.032 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 71.7 m -55.35 -37.67 67.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.145 0.497 . . . . 1.0 110.324 175.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 27.1 ttp-105 -73.35 -35.96 66.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.386 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.4 mtp -57.73 -39.08 76.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.119 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 10' ' ' ILE . 4.9 mt -69.96 -50.22 50.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.924 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 30' ' ' ARG . 11.5 ptm180 -63.58 -29.67 70.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.526 0.203 . . . . 1.0 111.378 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 51.2 mt-10 -76.44 -18.25 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.143 -0.223 . . . . 1.0 111.025 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.1 mmm180 -104.89 -57.32 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.449 . . . . 1.0 110.952 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' H ' ' A' ' 38' ' ' GLU . 58.9 mt -102.47 126.31 33.5 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.948 -177.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG2' ' OE2' ' A' ' 38' ' ' GLU . 58.2 Cg_endo -74.8 -16.27 20.84 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.926 2.418 . . . . 1.0 111.676 -174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.531 ' OE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mp0 -61.02 -31.17 70.81 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.793 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.94 -20.78 64.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.32 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.03 37.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.97 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.72 -17.66 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.5 -149.29 5.68 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.918 -0.658 . . . . 1.0 112.187 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.11 142.4 41.95 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 122.967 2.444 . . . . 1.0 112.201 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.72 -17.23 52.23 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.253 1.969 . . . . 1.0 113.452 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -107.22 5.61 27.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 1.0 110.911 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' HG3' ' A' ' 83' ' ' LYS . 24.6 t70 -83.86 -24.04 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -109.66 159.28 17.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.531 -1.213 . . . . 1.0 109.55 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.22 169.08 31.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.918 -0.658 . . . . 1.0 111.897 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD12 HG13 ' A' ' 25' ' ' VAL . 80.3 mt -84.78 118.56 24.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 1.0 110.435 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -114.87 112.09 22.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.67 -0.696 . . . . 1.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.1 tp -80.9 100.65 8.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.061 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -78.97 125.36 29.27 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.316 0.579 . . . . 1.0 109.878 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 29.2 t70 -104.5 56.27 0.71 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.621 -174.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 29.0 t70 69.95 -49.73 0.63 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.39 -0.823 . . . . 1.0 110.398 -174.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.588 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 13.7 t70 -108.45 128.72 25.09 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.17 -23.56 72.96 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.053 2.502 . . . . 1.0 112.98 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 12.7 ttpp -72.29 -29.23 63.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.163 0.506 . . . . 1.0 109.881 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -87.1 -2.9 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.883 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.99 159.29 41.52 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.056 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.5 pt -140.14 159.48 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 1.0 111.25 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -94.57 121.35 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.6 mp -73.49 140.5 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.928 0.394 . . . . 1.0 110.871 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.2 mt-10 -79.71 137.83 37.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.918 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.65 -36.41 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 1.0 112.147 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.38 8.36 71.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.743 -175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -108.03 153.42 23.13 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.045 -0.354 . . . . 1.0 110.045 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.799 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -93.76 164.69 13.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.486 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.9 mt -68.73 -32.25 71.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 1.0 110.301 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.34 -28.55 69.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.864 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.61 -40.61 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.423 0.63 . . . . 1.0 110.112 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -87.47 1.1 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.951 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.0 mtt 56.22 46.04 22.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.628 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 82.9 mt -72.84 145.28 47.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.646 -0.502 . . . . 1.0 109.646 176.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -135.99 169.11 18.12 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.5 p-10 -62.81 132.62 52.79 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.67 -23.8 23.34 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.534 -0.841 . . . . 1.0 112.467 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -70.15 156.31 39.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 1.0 110.693 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -118.17 119.76 35.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 37.3 ttp -123.33 131.14 53.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.11 -0.7 . . . . 1.0 109.11 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.923 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 50.1 mt-10 -96.99 105.87 18.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.988 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 91.5 t80 -75.95 102.33 5.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.24 167.94 20.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.662 -168.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HG3' ' OD2' ' A' ' 46' ' ' ASP . 24.4 ttmm -66.12 130.43 43.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.016 -0.538 . . . . 1.0 109.996 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -66.31 114.14 5.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.358 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.438 -0.792 . . . . 1.0 110.08 179.538 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.023 -0.431 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.9 mm -119.64 127.37 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.82 133.96 61.34 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.257 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.53 -35.52 98.83 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.45 2.1 . . . . 1.0 110.973 175.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.673 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 26.0 p90 -143.42 124.4 14.37 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.552 173.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.8 p -63.92 118.36 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.416 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtm 59.8 -101.13 0.11 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 1.0 110.646 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.42 116.55 39.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 115.232 -0.895 . . . . 1.0 109.687 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' -1' ' ' PHE . . . -137.97 139.67 39.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.176 0.513 . . . . 1.0 111.178 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.3 mp -92.65 106.23 18.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.392 -0.822 . . . . 1.0 109.994 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -99.74 103.14 14.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.488 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.61 167.17 10.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.194 0.521 . . . . 1.0 111.309 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -91.98 105.14 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.218 -0.901 . . . . 1.0 108.704 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 79' ' ' MET . 29.5 mm -100.28 104.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.816 0.341 . . . . 1.0 110.714 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.776 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 23.0 t -89.92 106.45 18.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 1.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 74.6 mt -81.06 93.01 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.17 -55.47 3.59 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -166.78 -21.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.325 0.583 . . . . 1.0 109.686 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.71 104.7 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.561 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.776 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 6.2 p -93.18 124.81 45.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.664 0.745 . . . . 1.0 111.544 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -118.98 136.66 53.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 1.0 108.599 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -89.04 119.27 29.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.503 0.668 . . . . 1.0 109.572 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.3 mmm -120.55 146.56 46.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.715 -175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.51 107.9 19.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.931 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -100.8 -178.69 3.84 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 35.9 mt-10 -114.78 157.07 44.02 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 27.7 Cg_endo -64.85 -27.72 59.17 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.302 2.001 . . . . 1.0 111.509 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.39 -3.68 59.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.803 . . . . 1.0 110.957 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -72.14 127.98 34.25 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.411 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.557 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.7 mmm -77.46 149.54 35.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 49' ' ' LEU . 75.3 t -58.34 -45.68 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 112.157 0.428 . . . . 1.0 112.157 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 p90 -64.13 -26.89 68.74 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.284 0.564 . . . . 1.0 110.242 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.08 -38.61 27.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.114 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.29 74.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.427 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.8 m -64.14 -30.49 71.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.301 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -75.35 -38.2 60.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.196 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 61.0 mtt -56.94 -41.27 77.94 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.836 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.27 -41.45 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.802 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -72.77 -32.86 65.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.215 0.45 . . . . 1.0 112.215 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 8.0 pt-20 -81.27 -36.74 29.53 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.838 -0.345 . . . . 1.0 111.295 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -82.04 -47.22 12.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 1.0 110.751 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG22 ' H ' ' A' ' 38' ' ' GLU . 42.9 mm -108.48 118.66 51.57 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.093 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.45 -15.81 22.01 Favored 'Trans proline' 0 CA--C 1.518 -0.285 0 C-N-CA 122.705 2.27 . . . . 1.0 111.221 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.8 tp10 -63.82 -31.95 73.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.55 -174.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.86 -1.38 38.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.973 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.17 102.12 14.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.022 0.439 . . . . 1.0 110.846 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 -64.45 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.099 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' H ' ' HE2' ' A' ' 47' ' ' PHE . . . -107.14 -176.3 22.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.903 -0.665 . . . . 1.0 111.704 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 34.5 Cg_exo -59.08 150.83 70.78 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 123.288 2.659 . . . . 1.0 112.858 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 30.6 Cg_exo -60.63 -42.3 40.73 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.454 2.103 . . . . 1.0 113.042 -171.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -88.9 -0.39 57.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.34 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 33.1 t70 -78.32 -28.76 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.831 0.824 . . . . 1.0 108.804 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 98.3 m-85 -93.52 -172.18 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.891 -1.05 . . . . 1.0 108.81 170.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 176.1 46.85 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 119.823 -1.179 . . . . 1.0 113.016 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -96.13 124.09 40.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.997 0.427 . . . . 1.0 110.226 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -114.05 108.05 16.48 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.6 tt -70.9 103.21 2.57 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 p -83.64 148.84 26.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.38 0.61 . . . . 1.0 111.199 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -128.61 173.64 10.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.253 -1.017 . . . . 1.0 108.253 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -27.16 69.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.75 ' HB3' ' HD3' ' A' ' 58' ' ' LYS . 11.5 t70 -113.59 131.09 23.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.415 172.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.39 -21.04 72.15 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.097 2.531 . . . . 1.0 113.894 -174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -75.98 -24.96 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.576 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.75 ' HD3' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -86.25 -4.26 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.867 177.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -78.0 127.39 8.2 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 pt -126.68 149.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.97 0.414 . . . . 1.0 111.512 -175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.558 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.6 m95 -84.78 128.88 34.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.903 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -78.18 126.95 31.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.773 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.69 136.39 57.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.852 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.45 -37.25 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.172 178.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.35 15.64 38.89 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.104 -0.569 . . . . 1.0 113.599 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.61 160.45 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.429 -0.454 . . . . 1.0 109.793 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -95.5 168.75 10.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.701 0.286 . . . . 1.0 110.589 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.73 -34.99 67.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.719 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.1 -24.93 67.57 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.213 0.53 . . . . 1.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -55.02 -36.02 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.956 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.1 6.93 47.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.435 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.6 mtp 59.59 34.72 22.41 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.296 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.887 ' HB2' HD23 ' A' ' 4' ' ' LEU . 91.7 mt -63.85 134.29 54.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.911 0.386 . . . . 1.0 110.402 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -118.23 159.82 22.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.879 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' A' ' 5' ' ' SER . 3.7 p30 -66.3 113.25 4.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 172.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.7 -16.04 12.51 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.811 -0.709 . . . . 1.0 112.31 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.59 158.71 35.68 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.732 0.301 . . . . 1.0 110.427 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 m -113.27 133.65 54.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.776 0.322 . . . . 1.0 110.711 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.632 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.4 ttp -137.6 131.39 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -98.45 108.79 21.57 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.964 0.412 . . . . 1.0 110.977 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 56.9 t80 -75.19 103.87 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 172.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -147.35 171.21 15.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.572 -174.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 85.8 tttt -74.66 120.52 20.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.791 -176.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -75.52 136.19 40.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.346 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.57 -0.729 . . . . 1.0 110.457 -177.568 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.917 -0.473 . . . . 1.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 8.4 tt -88.5 133.77 29.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.822 0.344 . . . . 1.0 110.705 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 19.2 m-20 -91.08 153.9 44.9 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.706 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 21.1 Cg_exo -65.54 136.06 44.87 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.824 2.35 . . . . 1.0 111.459 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 76.9 m-85 -87.24 76.65 9.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.342 0.591 . . . . 1.0 110.875 -176.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.3 m -96.49 -14.73 22.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.517 0.675 . . . . 1.0 109.599 175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 1' ' ' MET . 21.7 ptp -78.67 102.89 8.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.088 -0.96 . . . . 1.0 111.23 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m 37.72 44.57 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 1.0 112.802 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' -1' ' ' PHE . . . -112.85 145.86 39.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.515 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.6 mp -98.87 103.14 15.06 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.924 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 14.3 m -92.75 103.49 15.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 110.158 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -119.43 154.99 32.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.124 0.488 . . . . 1.0 110.793 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' THR . 95.1 mttt -93.5 121.52 34.99 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.456 -0.793 . . . . 1.0 109.517 177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.689 HG13 HD11 ' A' ' 32' ' ' ILE . 41.6 mm -106.24 120.98 58.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.971 0.415 . . . . 1.0 111.068 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 41.6 t -93.7 105.62 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.501 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 32' ' ' ILE . 76.0 mt -102.86 99.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.29 -101.5 0.69 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.724 -0.751 . . . . 1.0 111.576 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.15 4.77 12.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 1.0 110.241 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.93 104.12 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.623 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.09 120.75 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.095 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -132.13 140.49 48.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.373 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 17.4 m -88.89 128.36 35.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.566 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 32' ' ' ILE . 49.7 mtp -129.59 153.65 47.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.662 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -110.58 117.53 33.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.063 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.07 172.73 6.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.082 0.468 . . . . 1.0 111.34 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 10.7 mm-40 -95.72 149.47 36.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.603 -0.726 . . . . 1.0 109.416 173.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.03 -38.0 49.2 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.44 2.093 . . . . 1.0 113.024 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -86.24 15.02 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 1.0 111.718 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 58.9 m -76.34 121.74 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.808 0.337 . . . . 1.0 110.899 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.9 mmt -63.5 144.45 56.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 172.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.3 t -57.81 -40.6 76.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.3 p90 -66.54 -28.33 68.46 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.461 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 38.8 t70 -80.16 -29.52 38.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.517 . . . . 1.0 109.697 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -40.86 81.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.885 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -62.99 -36.55 83.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.327 0.584 . . . . 1.0 109.891 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 40.8 ttm180 -62.74 -39.84 95.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.408 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.4 mtp -64.54 -47.54 78.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.334 175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.689 HD11 HG13 ' A' ' 8' ' ' ILE . 14.9 mm -53.51 -48.27 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 30.8 ptt180 -63.22 -42.54 99.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 1.0 111.424 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 33' ' ' ARG . 45.4 mt-10 -83.48 -24.23 31.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -173.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.648 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -87.23 -34.87 18.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 1.0 110.453 177.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -125.9 119.22 24.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.575 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.66 -14.91 33.64 Favored 'Trans proline' 0 CA--C 1.516 -0.395 0 C-N-CA 122.705 2.27 . . . . 1.0 111.649 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.47 -28.85 69.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.397 -0.819 . . . . 1.0 110.588 -175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -85.99 -8.43 57.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.958 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.01 79.67 4.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 1.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.14 20.82 1.58 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.312 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -177.71 32.47 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.819 -0.705 . . . . 1.0 112.052 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 71.5 Cg_endo -78.01 146.98 23.49 Favored 'Trans proline' 0 CA--C 1.513 -0.562 0 C-N-CA 122.79 2.326 . . . . 1.0 112.896 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 16.0 Cg_exo -67.17 -13.18 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.438 2.092 . . . . 1.0 112.928 -170.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -92.9 -9.48 39.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.211 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.25 -35.69 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.554 -0.906 . . . . 1.0 108.554 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 76.7 m-85 -89.22 -173.3 3.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.497 -1.229 . . . . 1.0 108.385 169.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.65 173.83 46.57 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.119 -1.039 . . . . 1.0 112.337 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 25' ' ' VAL . 92.2 mt -93.85 130.64 39.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.086 0.47 . . . . 1.0 110.012 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -120.27 109.93 15.97 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.481 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.598 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 54.0 tp -68.28 108.61 3.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.419 -0.586 . . . . 1.0 109.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.5 p -86.94 146.94 25.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.223 0.535 . . . . 1.0 111.619 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -151.21 162.61 40.57 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.804 -1.184 . . . . 1.0 107.804 175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -69.05 -21.15 64.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.591 -0.444 . . . . 1.0 109.979 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -97.71 122.96 53.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.926 174.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.5 -14.36 44.47 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.863 2.375 . . . . 1.0 113.572 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -87.61 -25.86 23.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.938 0.399 . . . . 1.0 110.137 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -76.89 -22.78 52.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.156 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -70.72 111.88 3.97 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.519 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.2 pt -129.34 155.12 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.397 . . . . 1.0 111.505 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 84.4 m95 -88.48 133.78 34.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.531 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -84.38 127.16 33.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.481 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 55.4 mt-10 -73.25 136.38 44.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.003 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.64 -36.75 67.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.656 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.64 15.38 51.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.715 -0.755 . . . . 1.0 112.649 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 46.0 mmtm -115.65 158.18 23.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . . . -88.65 161.6 16.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.225 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.81 -31.09 71.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.285 0.564 . . . . 1.0 110.298 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.02 -27.63 68.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.835 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 88.9 t80 -57.15 -34.43 68.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.128 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 87.5 m-85 -97.32 11.85 35.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.455 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt 58.17 38.1 26.31 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.956 -0.566 . . . . 1.0 111.207 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.609 HD11 HD21 ' A' ' 62' ' ' LEU . 80.6 mt -74.1 143.58 45.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.16 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -140.6 -179.89 6.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.0 p30 -66.8 131.15 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.938 0.399 . . . . 1.0 110.245 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.78 -15.8 51.96 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.585 -0.817 . . . . 1.0 112.376 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.08 151.85 42.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.484 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -117.87 132.57 56.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.976 0.417 . . . . 1.0 111.033 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 55.1 mtm -129.65 144.54 51.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.009 176.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 49.7 mt-10 -104.58 108.34 19.74 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.356 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 55.3 t80 -75.67 106.09 7.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.738 -0.838 . . . . 1.0 108.738 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 12.9 ptm180 -143.77 159.49 42.43 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.279 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 37.2 tttp -58.67 135.95 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 98.8 mttt -57.97 124.52 19.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.646 0.26 . . . . 1.0 111.075 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.704 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.766 -0.534 . . . . 1.0 111.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.92 136.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.93 130.31 90.11 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.42 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.34 130.32 37.88 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.371 2.714 . . . . 1.0 112.855 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -96.73 165.5 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.74 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 10.1 m -127.67 134.64 49.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt 71.77 158.75 0.2 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.56 0.537 . . . . 1.0 110.241 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.69 111.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.458 0.647 . . . . 1.0 110.758 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.84 155.56 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.024 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 73' ' ' LEU . 6.5 mp -97.44 102.84 14.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.604 -0.725 . . . . 1.0 109.484 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.2 m -91.95 103.4 15.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.945 0.402 . . . . 1.0 110.582 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.0 mp -115.93 159.63 21.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.0 111.201 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -92.91 113.28 25.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.32 -0.855 . . . . 1.0 110.232 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 36.6 mm -86.64 117.29 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.124 178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.91 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 20.7 t -108.3 105.92 15.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.003 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.1 mt -99.79 96.47 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.07 -89.45 0.88 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -136.14 6.42 3.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 1.0 109.807 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.55 118.63 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.775 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' ILE . 54.8 t -112.23 118.04 56.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.18 0.514 . . . . 1.0 111.918 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 13.1 mptt -117.72 133.55 55.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.327 175.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.4 m -82.24 120.85 25.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.825 0.345 . . . . 1.0 110.395 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HB3' ' HE3' ' A' ' 17' ' ' MET . 88.2 mmm -123.58 138.94 54.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.708 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.29 106.95 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.105 0.479 . . . . 1.0 109.957 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -98.67 160.17 14.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.69 151.63 50.48 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 108.887 -0.782 . . . . 1.0 108.887 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -62.24 -33.61 80.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.011 1.807 . . . . 1.0 111.655 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 p -85.44 4.26 36.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.72 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.3 m -74.58 121.03 20.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 1.0 110.94 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.82 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 90.0 mtp -76.63 158.47 31.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.918 176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG13 HD12 ' A' ' 49' ' ' LEU . 73.9 t -57.07 -48.75 81.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.442 0.534 . . . . 1.0 112.442 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.761 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.6 p90 -66.35 -23.09 66.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.253 0.549 . . . . 1.0 110.408 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.26 -36.16 27.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.834 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.28 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.034 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 27.0 p -64.95 -26.94 68.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 1.0 109.927 178.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -68.87 -43.26 75.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.328 -0.851 . . . . 1.0 110.137 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.91 -38.93 73.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.057 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.08 -42.83 95.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.048 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 25.2 mtp-105 -61.64 -31.72 71.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.379 0.609 . . . . 1.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.29 -39.39 25.29 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.505 -0.77 . . . . 1.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -85.58 -37.68 19.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.983 0.421 . . . . 1.0 111.054 -174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 15' ' ' LYS . 17.6 mm -115.77 126.2 27.94 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.4 Cg_endo -71.62 -17.24 29.94 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.407 2.072 . . . . 1.0 110.965 -176.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' H ' HG22 ' A' ' 36' ' ' ILE . 38.2 mt-10 -71.37 -27.66 63.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.818 -1.083 . . . . 1.0 110.976 -173.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -79.39 -4.73 52.41 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.623 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 37' ' ' PRO . 71.6 mt -89.3 1.54 55.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.578 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.83 -7.73 56.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.942 0.401 . . . . 1.0 111.285 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.62 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -156.47 157.64 28.08 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 121.006 -0.616 . . . . 1.0 111.831 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -70.33 147.37 59.08 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.251 2.634 . . . . 1.0 112.512 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.603 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 51.2 Cg_endo -70.2 -19.58 33.85 Favored 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 122.031 1.821 . . . . 1.0 113.179 -171.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -87.89 -24.61 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 1.0 110.234 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.97 -27.7 43.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.028 0.918 . . . . 1.0 108.902 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.63 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 3.1 m-85 -99.05 -171.11 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.356 -1.293 . . . . 1.0 109.363 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.52 175.34 47.51 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.116 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD12 HG13 ' A' ' 25' ' ' VAL . 66.1 mt -98.43 124.47 43.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.014 0.435 . . . . 1.0 110.501 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -119.0 113.17 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.119 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.618 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.8 tt -69.61 109.36 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.565 -0.902 . . . . 1.0 108.565 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.567 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 19.8 m -75.47 137.29 40.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 1.0 111.84 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.58 -172.21 2.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -82.4 -21.42 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.258 0.552 . . . . 1.0 109.624 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 58' ' ' LYS . 12.8 t70 -112.56 128.15 25.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.452 174.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.3 -29.45 88.94 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.041 2.494 . . . . 1.0 113.546 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -91.83 -15.68 27.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.144 0.497 . . . . 1.0 110.776 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . 43.0 mmtm -84.05 -15.08 48.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.017 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.82 153.39 47.12 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.2 pt -127.66 149.12 32.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.036 0.446 . . . . 1.0 112.01 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -89.03 122.43 32.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.314 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.8 mp -75.4 134.82 40.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.175 0.512 . . . . 1.0 111.518 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.98 125.55 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.132 -0.94 . . . . 1.0 110.888 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.99 -34.44 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 123.192 0.597 . . . . 1.0 112.125 -177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.51 2.16 79.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.912 -0.661 . . . . 1.0 112.923 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -109.54 153.68 23.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.15 164.93 14.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.99 -34.16 74.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.896 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.86 -23.57 66.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.149 0.499 . . . . 1.0 110.694 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -60.49 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.549 -0.751 . . . . 1.0 110.27 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.62 -3.06 50.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.202 -0.908 . . . . 1.0 111.459 -173.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.5 mtt 59.41 49.96 8.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.232 0.539 . . . . 1.0 110.858 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 89.6 mt -75.51 141.38 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.671 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -124.67 170.79 10.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.335 -173.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.605 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.6 p30 -66.09 129.02 38.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.693 174.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.36 -9.6 61.03 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.531 -0.842 . . . . 1.0 112.309 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -73.19 143.65 47.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.951 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.7 m -106.02 127.34 53.1 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.717 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.3 ttp -130.04 131.09 45.68 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.91 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.9 mt-10 -93.79 106.28 18.26 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.362 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 86.8 t80 -76.71 104.29 7.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 165.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -143.99 171.0 14.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.002 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 35.7 ttpt -78.97 125.88 29.96 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 47' ' ' PHE . 18.0 ptpt -84.23 144.39 28.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.652 -172.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 115.538 -0.755 . . . . 1.0 109.873 175.492 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.841 -0.504 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.7 tt -144.06 130.43 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 1.0 110.225 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.94 149.84 57.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.037 -0.357 . . . . 1.0 110.037 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.72 107.09 2.2 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.957 2.438 . . . . 1.0 112.661 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -133.54 -35.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.211 173.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.1 m 67.02 -72.87 0.08 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.728 -0.669 . . . . 1.0 112.414 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt -80.31 172.21 14.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.3 119.26 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.292 0.568 . . . . 1.0 110.111 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.87 139.42 51.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.063 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' ' 74' ' ' ARG . 84.4 mt -97.18 108.96 21.8 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.137 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -83.72 103.51 13.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.361 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -111.82 153.83 26.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.585 0.707 . . . . 1.0 110.816 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB3' HG21 ' A' ' 14' ' ' VAL . 13.4 mmmm -92.02 104.93 17.28 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.673 -1.149 . . . . 1.0 108.749 176.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' MET . 45.6 mm -101.15 101.65 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 1.0 111.039 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.743 ' OG ' ' HB ' ' A' ' 14' ' ' VAL . 2.5 m -79.22 101.61 8.08 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.128 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 58.5 mt -84.1 94.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.563 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.73 -80.82 0.43 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.936 -0.649 . . . . 1.0 111.69 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.64 -29.7 3.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.864 0.364 . . . . 1.0 110.713 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.36 117.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.806 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.743 ' HB ' ' OG ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -95.2 132.27 39.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.0 111.631 -179.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' HD13 ' A' ' 36' ' ' ILE . 67.9 mmtt -110.84 142.98 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.981 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -84.92 108.24 17.46 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 81.0 mmm -118.01 141.48 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.102 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.49 108.76 20.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.408 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -100.12 -178.0 3.7 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.495 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -110.37 145.69 32.74 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 1.0 109.677 171.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.36 -32.89 63.85 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.856 2.37 . . . . 1.0 112.842 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -83.58 -3.51 57.75 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.388 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 m -71.15 137.72 49.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 1.0 110.683 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.548 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 86.4 mtp -87.0 154.34 20.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.034 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 62' ' ' LEU . 76.0 t -57.26 -51.76 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.708 . . . . 1.0 112.91 -173.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.2 p90 -64.84 -28.15 69.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.226 0.536 . . . . 1.0 110.292 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' MET . 28.8 t70 -78.2 -36.45 47.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -33.1 75.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.19 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 65.6 m -62.66 -41.94 99.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.682 174.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 15.6 ttm180 -65.21 -35.55 81.42 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.269 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 87.7 mtp -59.91 -36.9 77.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.045 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 17' ' ' MET . 26.1 mm -67.17 -46.48 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.282 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.78 -29.64 65.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 37.7 mt-10 -81.42 -48.62 11.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.971 -0.291 . . . . 1.0 111.54 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -76.46 -29.47 56.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 1.0 110.884 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 ' HG3' ' A' ' 15' ' ' LYS . 53.5 mt -117.72 112.58 38.67 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.729 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.54 -17.39 23.6 Favored 'Trans proline' 0 CA--C 1.514 -0.508 0 C-N-CA 122.581 2.187 . . . . 1.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.48 -29.74 66.35 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.598 -1.183 . . . . 1.0 110.557 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -79.28 -9.12 59.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.95 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 mt -74.6 92.3 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.172 0.51 . . . . 1.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -143.95 24.14 1.67 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.31 -0.859 . . . . 1.0 109.672 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.19 171.32 28.18 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 1.0 112.132 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.782 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 39.1 Cg_endo -66.21 161.18 41.47 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.159 2.573 . . . . 1.0 112.981 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -44.85 45.63 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.031 2.488 . . . . 1.0 114.69 -166.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -101.96 11.35 38.65 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.624 -0.43 . . . . 1.0 111.579 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.782 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 36.4 t70 -76.38 -30.14 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.342 -1.355 . . . . 1.0 107.342 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HZ ' ' HB3' ' A' ' 41' ' ' ALA . 67.2 m-85 -96.89 169.39 9.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.996 -1.456 . . . . 1.0 108.652 169.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -159.94 163.24 33.62 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.015 -1.088 . . . . 1.0 112.504 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 89.0 mt -86.55 125.31 33.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 88.3 t80 -106.35 114.09 28.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.92 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.76 ' HB2' HD11 ' A' ' 62' ' ' LEU . 56.1 tp -77.13 110.91 12.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.831 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.5 m -69.63 143.01 53.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.293 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -124.23 168.39 13.02 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.37 -32.31 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.219 0.533 . . . . 1.0 109.973 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -114.75 131.96 23.16 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.782 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.31 -29.81 89.1 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.364 2.709 . . . . 1.0 113.728 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -77.79 -24.45 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.401 0.619 . . . . 1.0 109.929 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -0.29 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.024 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.66 132.24 24.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 pt -125.31 157.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.225 0.536 . . . . 1.0 112.059 -172.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 97.0 m95 -86.16 129.31 34.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.533 172.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.5 mp -74.65 143.26 44.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.573 0.225 . . . . 1.0 110.501 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.9 mt-10 -80.5 136.73 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.84 -43.37 72.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.0 112.317 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.59 2.87 65.7 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.137 -0.554 . . . . 1.0 113.577 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.1 mmtt -99.13 159.27 15.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.03 0.415 . . . . 1.0 110.253 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.99 164.46 12.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.491 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.35 -43.11 82.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 1.0 111.285 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.04 -22.92 65.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 1.0 110.57 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.16 -36.49 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.151 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -89.61 8.7 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.444 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.3 mtt 60.58 29.57 19.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 6' ' ' LEU . 93.8 mt -65.37 133.25 50.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.57 ' HA ' HD22 ' A' ' 4' ' ' LEU . 97.7 mtt180 -139.6 -179.73 6.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.409 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -66.89 121.18 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.096 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.37 -11.19 26.26 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 1.0 112.823 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -68.7 161.24 28.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.74 0.305 . . . . 1.0 111.245 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 m -130.03 120.31 24.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.01 0.433 . . . . 1.0 111.005 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 52.0 mtm -128.18 138.39 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.273 -0.422 . . . . 1.0 109.909 176.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 41.2 mt-10 -91.95 103.05 15.62 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.23 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 66.4 t80 -76.46 104.02 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.735 -1.209 . . . . 1.0 107.735 171.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.1 ptm180 -139.29 164.38 29.98 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.496 -169.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 14.0 tmtt? -78.24 120.16 22.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.584 -0.524 . . . . 1.0 109.584 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 61' ' ' TRP . 52.8 mtpt -66.37 128.05 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.392 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.454 -0.784 . . . . 1.0 109.888 178.673 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.537 -0.625 . . . . 1.0 111.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.6 129.65 41.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 11.2 t70 -56.66 118.32 22.08 Favored Pre-proline 0 C--O 1.234 0.285 0 O-C-N 123.509 0.505 . . . . 1.0 109.832 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 37.5 Cg_exo -61.4 158.44 35.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.661 2.908 . . . . 1.0 113.808 -171.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 29.1 p90 -107.66 10.83 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.542 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 1' ' ' MET . 19.6 m -58.51 146.79 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.882 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG3' HG22 ' A' ' 0' ' ' THR . 59.2 mtm 69.17 -171.48 0.18 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.45 53.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.555 0.693 . . . . 1.0 110.326 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.81 133.76 44.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.936 -177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.923 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.0 mp -82.38 104.93 13.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.097 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 6.0 m -79.69 103.5 9.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.228 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -122.82 158.82 29.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.583 0.706 . . . . 1.0 111.422 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -95.76 116.9 29.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.568 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.54 113.31 31.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.226 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -100.14 103.8 15.3 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.339 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 81' ' ' TYR . 76.1 mt -89.43 100.71 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.8 -86.33 0.55 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.94 -0.648 . . . . 1.0 111.509 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -134.74 -0.57 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.804 0.335 . . . . 1.0 110.617 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.63 118.44 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -104.43 129.21 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.791 -174.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -128.55 141.0 51.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.594 174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.1 m -87.11 121.1 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.914 0.388 . . . . 1.0 110.567 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 79.6 mtp -127.01 143.99 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 48.6 mt-30 -111.81 112.52 24.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 1.0 110.265 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -98.94 166.32 11.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.223 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.53 146.98 42.96 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -61.9 -28.81 81.52 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.01 1.806 . . . . 1.0 111.95 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -84.93 -1.49 56.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.563 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 m -74.37 133.21 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.161 0.505 . . . . 1.0 111.279 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.627 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 76.9 mmm -78.19 158.15 29.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.807 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 62' ' ' LEU . 81.5 t -61.64 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.677 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 20.0 p90 -64.04 -29.22 70.38 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.36 0.6 . . . . 1.0 109.856 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.81 -37.68 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.723 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.036 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.716 ' HG ' ' HE1' ' A' ' 81' ' ' TYR . 52.0 t -59.61 -40.94 89.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.049 174.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 20.8 ttt180 -65.63 -39.03 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.368 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 55.3 mtt -59.83 -37.34 78.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.023 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 10' ' ' ILE . 38.5 mt -67.45 -38.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.011 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.46 -29.69 69.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.097 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 58.5 mm-40 -78.97 -44.82 21.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.649 178.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -72.77 -51.54 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.256 0.55 . . . . 1.0 110.538 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 38' ' ' GLU . 19.3 mt -115.14 129.93 24.66 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.258 -0.883 . . . . 1.0 109.363 -176.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' A' ' 40' ' ' LEU . 88.6 Cg_endo -69.32 -18.82 38.88 Favored 'Trans proline' 0 CA--C 1.517 -0.366 0 C-N-CA 122.3 2.0 . . . . 1.0 110.93 -176.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' H ' HG22 ' A' ' 36' ' ' ILE . 9.0 tp10 -58.48 -44.43 89.33 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.802 -1.09 . . . . 1.0 110.958 -174.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -8.38 54.33 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 1.0 112.393 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 37' ' ' PRO . 44.6 mt -74.49 -3.23 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.89 0.376 . . . . 1.0 110.965 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.19 6.75 38.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.746 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.55 121.77 2.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.524 -0.846 . . . . 1.0 113.097 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 Cg_endo -86.4 146.31 8.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.26 2.64 . . . . 1.0 112.059 175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 6.3 Cg_exo -72.59 -4.61 15.62 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.211 1.941 . . . . 1.0 113.641 -170.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.22 -21.6 33.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.335 0.588 . . . . 1.0 109.751 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -106.01 -39.63 5.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.216 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 65.2 m-85 -103.27 162.97 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.355 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.76 168.4 33.33 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.707 -0.758 . . . . 1.0 111.733 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD12 HG13 ' A' ' 25' ' ' VAL . 62.8 mt -90.9 131.5 36.49 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -111.16 112.94 25.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.722 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.6 tt -78.58 101.57 7.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 m -84.67 131.16 34.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.162 0.506 . . . . 1.0 110.912 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -104.73 42.29 1.22 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.245 -1.021 . . . . 1.0 108.245 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 70.45 -51.72 0.66 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.453 -1.249 . . . . 1.0 110.454 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -85.06 131.4 48.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 173.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.92 -25.92 59.49 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.926 2.417 . . . . 1.0 113.499 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -88.55 -18.76 27.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.208 0.528 . . . . 1.0 110.157 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -87.84 -3.12 58.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.683 173.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.71 152.52 24.08 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.856 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.4 pt -132.89 167.93 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.898 0.38 . . . . 1.0 111.077 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 84' ' ' LYS . 97.5 m95 -97.39 135.09 39.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.047 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.1 mp -88.45 133.88 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.427 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.61 138.41 32.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.751 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.23 -37.1 64.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.889 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 7.11 77.15 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.792 -0.718 . . . . 1.0 113.338 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -105.17 163.83 12.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.806 0.303 . . . . 1.0 110.199 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -100.43 165.73 11.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.6 -0.273 . . . . 1.0 110.795 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 73' ' ' LEU . 57.4 mt -67.99 -43.85 77.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.967 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.77 -30.48 68.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.556 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 68.0 t80 -58.02 -39.32 78.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.546 -0.752 . . . . 1.0 111.003 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -90.17 -6.4 55.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 1.0 111.153 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.9 mtt 61.73 85.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.019 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB2' HD23 ' A' ' 4' ' ' LEU . 81.0 mt -104.88 144.16 32.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.612 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -119.74 155.59 32.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.55 -172.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.8 m-20 -69.51 110.72 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.83 -20.12 9.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.782 -0.723 . . . . 1.0 111.315 -174.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.87 165.71 22.67 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.746 -0.727 . . . . 1.0 110.182 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.1 m -136.53 129.71 31.35 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.665 -0.698 . . . . 1.0 112.239 -168.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.468 ' HG3' HD23 ' A' ' 6' ' ' LEU . 39.0 mtm -124.61 148.17 48.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.066 -0.515 . . . . 1.0 109.642 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 82' ' ' ARG . 27.4 tt0 -109.55 113.06 25.53 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.332 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.716 ' HE1' ' HG ' ' A' ' 29' ' ' CYS . 85.9 t80 -74.44 112.71 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.4 ptm180 -153.37 171.13 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.507 -175.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 8.8 tmtm? -69.83 128.11 35.25 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.412 -0.959 . . . . 1.0 108.412 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.611 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 21.0 ptmt -83.32 131.21 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.176 0.513 . . . . 1.0 111.348 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.247 0.94 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.849 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.318 -0.713 . . . . 1.0 111.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.52 111.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 173.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -92.43 136.92 24.88 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.182 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -69.14 99.22 0.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.562 2.174 . . . . 1.0 112.128 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.409 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 29.0 p90 -78.17 143.26 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 15.2 t -74.31 -175.73 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.855 -173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp -56.25 128.1 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.92 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p 41.49 53.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 122.302 1.049 . . . . 1.0 111.673 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' -1' ' ' PHE . . . -73.64 139.58 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.167 -0.924 . . . . 1.0 109.725 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.88 HD22 ' HA ' ' A' ' 74' ' ' ARG . 36.6 mt -94.81 101.69 13.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 17' ' ' MET . 18.3 m -94.75 102.48 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.3 mp -105.65 153.68 21.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.211 0.529 . . . . 1.0 110.666 -177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.0 104.7 17.07 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.548 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 79' ' ' MET . 36.4 mm -99.34 110.61 26.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.494 -175.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.3 t -83.72 101.21 11.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.66 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' ALA . 74.2 mt -85.13 96.18 4.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.455 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 -76.3 1.64 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.91 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -145.95 10.77 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.014 0.435 . . . . 1.0 110.395 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 30.3 t -118.99 118.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.623 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 42.0 t -83.96 118.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.941 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HE2' ' CG1' ' A' ' 13' ' ' VAL . 73.2 mmtt -122.3 121.71 37.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.289 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -83.92 125.16 31.74 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' SER . 1.6 tmm? -129.74 157.16 42.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.747 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -100.7 106.25 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.039 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -105.99 177.67 4.79 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.78 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -124.56 154.81 69.84 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -53.74 -40.28 80.46 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.553 2.169 . . . . 1.0 112.488 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -81.73 3.17 26.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -77.65 120.61 22.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 1.0 110.687 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.54 158.9 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.293 177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.892 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 97.8 t -56.87 -46.59 83.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.696 0.628 . . . . 1.0 112.696 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.715 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 39.2 p90 -68.33 -23.94 64.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.717 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.5 t70 -81.43 -35.45 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.183 0.516 . . . . 1.0 109.613 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.94 87.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.436 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 77.2 m -63.94 -36.98 85.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.144 0.497 . . . . 1.0 110.221 173.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 38.0 ttm180 -62.58 -39.41 93.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.268 175.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.561 ' HA ' ' HG2' ' A' ' 34' ' ' GLU . 60.7 mtt -65.12 -39.49 93.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.993 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 32' ' ' ILE . 9.9 mm -61.6 -47.58 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.817 -0.174 . . . . 1.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.9 ptm85 -71.79 -29.3 64.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.874 0.324 . . . . 1.0 111.874 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 31' ' ' MET . 6.3 pt-20 -80.65 -31.32 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.018 0.437 . . . . 1.0 110.771 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -82.59 -48.46 10.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.39 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 ' H ' ' A' ' 38' ' ' GLU . 39.8 mt -116.39 119.8 35.73 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.449 -173.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HA ' HD23 ' A' ' 40' ' ' LEU . 64.1 Cg_endo -75.72 -18.28 17.35 Favored 'Trans proline' 0 CA--C 1.52 -0.193 0 C-N-CA 122.707 2.271 . . . . 1.0 111.275 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 36' ' ' ILE . 34.0 tt0 -65.03 -32.68 74.52 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.073 -0.967 . . . . 1.0 110.879 -172.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -75.35 -14.12 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.282 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.3 mm? -68.88 101.26 1.32 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.178 0.513 . . . . 1.0 111.634 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -142.99 16.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.307 -0.86 . . . . 1.0 109.514 175.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.85 -178.41 31.58 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.401 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -76.9 150.12 29.92 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.904 2.403 . . . . 1.0 112.238 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.5 -24.05 56.92 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.413 2.075 . . . . 1.0 113.681 -168.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -81.83 -16.93 49.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.234 0.54 . . . . 1.0 110.366 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.8 -21.48 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.569 0.699 . . . . 1.0 109.512 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 91.9 m-85 -93.98 -168.13 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.066 -0.97 . . . . 1.0 108.77 170.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.0 167.12 39.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.385 -0.912 . . . . 1.0 112.251 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 25' ' ' VAL . 64.6 mt -100.59 131.4 46.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.499 . . . . 1.0 109.947 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -119.74 112.33 19.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.363 -0.835 . . . . 1.0 109.583 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.4 tp -73.17 104.74 4.33 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.156 -0.683 . . . . 1.0 109.156 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.7 p -85.91 159.67 19.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.453 0.645 . . . . 1.0 111.627 -173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.32 167.72 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.9 -25.38 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.322 0.582 . . . . 1.0 109.512 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD2' ' HG3' ' A' ' 58' ' ' LYS . 6.4 t0 -107.33 115.08 60.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.344 -0.843 . . . . 1.0 109.334 172.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 27.3 Cg_endo -61.99 -20.43 69.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.954 2.436 . . . . 1.0 112.479 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -69.07 -28.58 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 1.0 110.105 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG3' ' OD2' ' A' ' 55' ' ' ASP . 58.6 mttp -87.08 -6.5 58.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.333 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.69 124.17 7.87 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 pt -129.07 146.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.976 0.417 . . . . 1.0 111.854 -174.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -79.82 126.62 31.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.528 172.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.2 mp -81.21 135.4 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.023 -178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HB2' ' HG3' ' A' ' 66' ' ' LYS . 53.9 mt-10 -69.74 126.81 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.392 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.892 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -53.91 -36.09 62.34 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.245 0.618 . . . . 1.0 112.458 -177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.23 86.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.824 -0.703 . . . . 1.0 112.862 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' HB2' ' A' ' 63' ' ' GLU . 37.9 mmtm -93.25 154.49 17.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -92.67 160.61 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.215 -0.291 . . . . 1.0 110.215 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.82 -28.45 69.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 1.0 110.611 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.38 -28.86 69.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.866 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -58.7 -40.53 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.57 0.7 . . . . 1.0 110.557 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 73' ' ' LEU . 89.8 m-85 -90.98 7.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.134 -0.939 . . . . 1.0 110.932 -173.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.6 mtt 59.71 37.72 22.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.967 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.2 mt -81.43 141.59 33.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.817 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.88 ' HA ' HD22 ' A' ' 4' ' ' LEU . 69.7 mtm180 -140.45 -174.66 4.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.941 0.4 . . . . 1.0 110.512 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' SER . 5.5 p30 -69.93 119.13 13.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.069 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.47 -11.22 19.19 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.818 -0.706 . . . . 1.0 112.545 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.55 159.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 1.0 110.616 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.0 m -123.74 131.03 53.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.098 0.475 . . . . 1.0 111.267 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 53.7 mtm -132.74 156.24 47.41 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.452 173.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.4 mt-10 -110.45 109.78 20.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.887 0.375 . . . . 1.0 110.917 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 77.4 t80 -76.69 104.11 7.02 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 171.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -142.79 162.0 36.61 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.378 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 40.6 ttmt -74.9 124.15 26.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.156 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -68.11 132.18 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.554 -0.736 . . . . 1.0 110.202 -177.335 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.802 -0.519 . . . . 1.0 111.802 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.409 ' O ' ' HD3' ' A' ' -2' ' ' PRO . 47.8 mm -95.47 117.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 2.5 p-10 -91.8 109.27 35.74 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.053 0.454 . . . . 1.0 110.501 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 10.1 Cg_endo -89.59 -33.18 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.106 2.538 . . . . 1.0 113.008 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 62.53 -177.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.037 0.446 . . . . 1.0 111.267 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 13.8 m -98.43 88.65 4.18 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 mtt 62.06 -165.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.76 -0.654 . . . . 1.0 109.985 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 p -84.34 97.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.843 0.83 . . . . 1.0 109.452 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.51 148.96 49.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.967 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' A' ' 73' ' ' LEU . 52.4 mt -85.09 111.37 19.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.918 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 50.8 m -80.71 103.29 10.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.593 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.31 161.72 21.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.367 0.603 . . . . 1.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 53.2 mtmt -99.43 115.47 29.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.209 -0.905 . . . . 1.0 109.67 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 79' ' ' MET . 41.9 mm -102.19 111.34 31.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.554 -177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.702 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 21.4 t -96.11 107.9 20.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.737 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 63.7 mt -76.75 95.8 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 174.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.97 -76.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -146.25 6.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.931 0.396 . . . . 1.0 110.515 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 t -109.53 110.55 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.58 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 7.4 p -102.19 134.82 41.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.996 0.739 . . . . 1.0 112.996 -167.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -119.21 143.52 47.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.229 -0.896 . . . . 1.0 109.747 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -96.8 114.15 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.659 0.266 . . . . 1.0 110.409 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.3 mtp -130.85 162.04 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.999 0.428 . . . . 1.0 111.045 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.13 114.11 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.679 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 84.9 m-85 -108.16 126.61 52.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.186 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 45.9 mt-10 -64.3 141.0 98.08 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.685 0.279 . . . . 1.0 110.402 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 34.1 Cg_exo -58.53 -30.06 90.66 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.589 2.193 . . . . 1.0 112.603 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -82.83 -4.46 58.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.319 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 99.1 m -70.34 130.93 43.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.954 0.407 . . . . 1.0 110.8 178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 52.2 mtm -83.4 157.95 22.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.125 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 49' ' ' LEU . 96.0 t -63.38 -39.44 85.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.3 p90 -63.88 -27.12 68.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.291 0.567 . . . . 1.0 110.068 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.09 -41.18 36.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.1 84.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.417 -0.811 . . . . 1.0 111.102 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.81 -33.13 74.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 1.0 110.405 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 30' ' ' ARG . 30.6 ttm180 -68.71 -41.8 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.829 176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.45 -46.76 70.01 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.319 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -62.6 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.158 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -72.97 -29.38 63.02 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.733 -175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.0 -36.3 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 1.0 111.033 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -87.12 -41.32 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.011 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 38' ' ' GLU . 28.6 mt -114.97 115.79 43.07 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.278 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 40' ' ' LEU . 68.0 Cg_endo -73.94 -15.81 23.4 Favored 'Trans proline' 0 CA--C 1.518 -0.3 0 C-N-CA 122.657 2.238 . . . . 1.0 110.597 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HB3' HG22 ' A' ' 36' ' ' ILE . 42.3 tt0 -63.05 -33.8 76.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.504 -1.226 . . . . 1.0 110.521 -176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -80.07 -9.88 59.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.921 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 37' ' ' PRO . 78.8 mt -75.65 89.78 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.12 0.486 . . . . 1.0 111.152 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.08 18.31 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.193 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.73 179.23 34.4 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.777 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 90.0 Cg_endo -80.66 149.19 18.36 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 C-N-CA 122.788 2.325 . . . . 1.0 112.887 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 11.4 Cg_exo -69.51 -13.8 35.86 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.589 2.193 . . . . 1.0 112.951 -169.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -89.19 -15.97 32.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.907 0.384 . . . . 1.0 110.612 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' OD2' ' HE3' ' A' ' 83' ' ' LYS . 22.1 t70 -96.97 -20.76 17.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.675 0.75 . . . . 1.0 109.042 175.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 12.8 m-85 -92.44 -173.5 3.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.81 -1.086 . . . . 1.0 108.367 167.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.67 172.79 44.13 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 119.803 -1.189 . . . . 1.0 112.665 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 25' ' ' VAL . 87.3 mt -100.15 117.31 34.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.933 0.396 . . . . 1.0 110.021 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 91.6 t80 -104.13 119.12 38.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.253 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.2 tt -73.96 117.78 16.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.3 m -83.6 138.62 33.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 1.0 111.094 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.22 169.84 16.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.507 -0.77 . . . . 1.0 109.411 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.25 -25.53 66.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.116 0.484 . . . . 1.0 110.137 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.74 128.73 25.73 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.386 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.41 -14.43 42.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.158 2.572 . . . . 1.0 113.573 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.91 -24.18 23.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.025 0.44 . . . . 1.0 110.011 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -88.22 -22.48 23.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.918 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.44 126.79 28.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 173.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -127.4 154.5 37.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 1.0 111.953 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.492 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.6 m95 -86.84 122.01 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.101 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -72.15 119.91 17.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.038 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.23 138.03 51.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.961 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -55.07 -38.09 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.162 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.48 1.66 88.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.879 -0.676 . . . . 1.0 113.142 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -96.72 162.9 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -102.48 155.3 18.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.698 0.285 . . . . 1.0 110.859 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 19' ' ' PHE . 91.0 mt -61.11 -44.38 97.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.969 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.52 -40.58 62.61 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.161 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.91 -36.48 72.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.396 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 62' ' ' LEU . 55.1 m-85 -86.54 -7.2 58.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.441 -176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtm 60.66 89.24 0.07 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.338 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.765 ' HB2' HD13 ' A' ' 4' ' ' LEU . 71.8 mt -109.82 155.05 22.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.305 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -135.77 153.33 51.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.107 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 5' ' ' SER . 8.7 p30 -62.35 125.33 23.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.139 0.495 . . . . 1.0 109.897 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.8 -13.52 45.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.62 -0.8 . . . . 1.0 112.562 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.94 163.09 28.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.063 0.458 . . . . 1.0 110.48 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -120.48 122.25 40.25 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.307 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.664 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 24.0 mtp -121.02 131.69 54.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.561 172.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 50' ' ' PHE . 46.9 mt-10 -94.56 110.55 22.35 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.563 -179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 54.1 t80 -80.83 103.01 10.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.483 -1.303 . . . . 1.0 107.483 170.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 13.7 ptm180 -146.59 166.48 26.38 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.014 -170.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 83.8 tttt -73.38 139.55 46.03 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 47' ' ' PHE . 61.6 mttm -60.88 107.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.14 0.275 . . . . 1.0 111.709 -176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.42 176.689 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.971 -0.451 . . . . 1.0 111.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -121.82 126.97 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -91.49 145.71 31.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.65 157.36 47.51 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.726 2.284 . . . . 1.0 112.456 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.429 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 27.3 m-85 -98.99 7.6 45.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.946 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 25.2 m 68.4 95.33 0.07 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.283 -0.871 . . . . 1.0 109.743 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt 68.49 178.92 0.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.378 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 t -73.88 94.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.2 146.93 30.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.135 0.493 . . . . 1.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 73' ' ' LEU . 7.0 mp -100.97 104.22 15.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.054 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -88.42 108.92 19.62 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.6 mp -120.27 155.73 32.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.392 0.615 . . . . 1.0 111.118 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.9 mmtm -91.45 108.83 20.16 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.751 -1.113 . . . . 1.0 109.452 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 32' ' ' ILE . 48.3 mm -89.07 110.28 21.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.121 0.486 . . . . 1.0 110.46 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.683 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.9 t -89.34 101.83 14.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.217 -178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -104.14 99.77 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.24 -108.0 2.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 -175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -117.04 2.82 12.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.987 0.422 . . . . 1.0 110.232 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -104.37 127.81 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.351 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 59.3 t -104.03 122.85 57.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.702 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -106.29 118.65 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.124 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -84.7 109.76 18.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.096 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 mtp -132.77 159.92 38.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.259 0.552 . . . . 1.0 112.456 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' -1' ' ' PHE . 20.3 mm-40 -103.2 126.41 50.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.842 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -116.02 166.34 12.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.747 176.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 2.5 mp0 -102.3 151.16 38.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.14 -37.41 14.56 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.486 2.124 . . . . 1.0 112.688 -177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 p -75.89 -8.74 57.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.142 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.0 m -68.45 131.47 45.34 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.16 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.763 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 83.2 mtp -81.75 154.68 25.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.592 176.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 62' ' ' LEU . 94.3 t -58.0 -42.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.626 0.602 . . . . 1.0 112.626 -173.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.701 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 16.3 p90 -63.04 -32.36 73.71 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.39 0.614 . . . . 1.0 110.157 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.23 -32.8 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.068 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.51 89.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.286 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.676 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 62.7 m -62.21 -35.96 80.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.334 0.588 . . . . 1.0 109.888 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 53.2 ttp85 -69.5 -32.41 71.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.614 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.8 mtt -60.65 -41.26 94.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.731 0.3 . . . . 1.0 110.736 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 8' ' ' ILE . 21.4 mm -61.07 -34.56 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.353 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 53.0 mtt180 -71.95 -28.16 63.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.194 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 42.3 mt-10 -72.52 -47.52 47.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.086 0.469 . . . . 1.0 110.719 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.003 -172.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 32' ' ' ILE . 52.5 mt -127.8 125.96 23.77 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.012 -0.366 . . . . 1.0 110.012 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.62 -23.08 15.04 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 C-N-CA 122.555 2.17 . . . . 1.0 111.178 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' H ' HG22 ' A' ' 36' ' ' ILE . 44.0 mt-10 -63.82 -29.99 71.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.307 -0.861 . . . . 1.0 110.501 -175.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -64.46 -21.85 66.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.77 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.68 22.32 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.109 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.15 59.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.863 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.524 ' HA3' ' HE1' ' A' ' 47' ' ' PHE . . . -155.85 179.88 31.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.17 -1.014 . . . . 1.0 113.045 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.41 152.43 77.04 Favored 'Trans proline' 0 CA--C 1.509 -0.753 0 C-N-CA 123.543 2.829 . . . . 1.0 113.039 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.04 -40.65 41.34 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 122.218 1.945 . . . . 1.0 112.937 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -86.33 11.16 12.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.974 0.416 . . . . 1.0 111.024 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -103.71 -21.36 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.572 0.701 . . . . 1.0 109.882 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.524 ' HE1' ' HA3' ' A' ' 42' ' ' GLY . 25.0 m-85 -108.38 177.98 4.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.77 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.82 175.35 46.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.218 -0.992 . . . . 1.0 112.745 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 82.9 mt -96.53 128.33 43.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 1.0 110.379 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.426 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 86.0 t80 -115.51 109.88 18.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.951 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.6 tt -65.44 114.45 4.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -83.94 140.9 31.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.013 0.435 . . . . 1.0 111.291 -174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -136.94 -173.33 3.42 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.39 -27.12 20.66 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 119.79 61.47 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.422 -0.808 . . . . 1.0 108.974 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.89 -36.29 98.89 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.287 2.658 . . . . 1.0 113.861 -170.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -87.72 -5.24 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.659 0.266 . . . . 1.0 111.257 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 71.0 mmtt -87.48 -21.86 25.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 1.0 110.419 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.72 133.53 27.42 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.1 pt -123.11 146.56 28.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.138 0.494 . . . . 1.0 111.956 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.573 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 94.8 m95 -82.66 118.71 23.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.631 -0.713 . . . . 1.0 109.427 173.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 25' ' ' VAL . 6.7 mp -71.09 135.98 47.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.93 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 50.5 mt-10 -71.96 136.7 46.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -60.23 -34.56 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.301 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.05 7.44 66.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.043 -0.598 . . . . 1.0 113.253 -177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 71.4 mmtt -111.24 159.53 17.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.866 -0.42 . . . . 1.0 109.866 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.763 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -97.34 165.75 11.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.903 0.382 . . . . 1.0 110.963 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.38 -36.3 78.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -70.51 -23.94 62.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.091 0.472 . . . . 1.0 110.586 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -62.0 -41.16 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.38 0.61 . . . . 1.0 110.227 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -84.76 -4.17 58.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.465 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.9 mtt 53.49 63.86 2.06 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.309 -0.86 . . . . 1.0 111.308 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.83 ' HB2' HD23 ' A' ' 4' ' ' LEU . 78.8 mt -80.61 142.77 33.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.672 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -113.86 167.22 10.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.759 -174.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.52 111.17 7.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.49 -10.19 14.6 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.462 -0.875 . . . . 1.0 113.201 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.45 160.88 31.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.189 0.494 . . . . 1.0 110.76 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.7 m -120.85 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.0 111.167 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 47.7 mtm -134.33 137.47 44.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 46.0 mt-10 -91.73 103.75 16.28 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 32' ' ' ILE . 78.4 t80 -80.49 104.46 11.05 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.924 -1.139 . . . . 1.0 107.924 169.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 11.4 ptm180 -146.09 171.32 15.07 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.936 -171.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 128.12 34.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.515 -0.92 . . . . 1.0 108.515 176.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -71.18 122.92 21.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.733 0.301 . . . . 1.0 111.006 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.643 -0.694 . . . . 1.0 109.626 176.203 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.647 -0.581 . . . . 1.0 111.647 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.3 tp -108.87 151.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -54.71 142.93 51.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.557 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.43 ' HD2' ' O ' ' A' ' 18' ' ' GLN . 80.7 Cg_exo -45.94 104.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.489 2.793 . . . . 1.0 113.011 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.531 ' HD1' HE22 ' A' ' 18' ' ' GLN . 47.0 t80 -98.74 81.1 2.61 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.506 0.669 . . . . 1.0 110.036 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.718 ' H ' ' HB2' ' A' ' 3' ' ' ALA . 2.2 m -87.85 157.94 18.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.288 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.7 mpt? -70.96 -4.28 23.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.66 0.743 . . . . 1.0 110.385 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.4 43.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 122.699 1.237 . . . . 1.0 108.616 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.718 ' HB2' ' H ' ' A' ' 0' ' ' THR . . . -74.13 144.25 44.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.327 -1.306 . . . . 1.0 110.761 -177.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 70.5 mt -98.85 111.08 23.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.353 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 20.0 m -94.33 104.64 16.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.554 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 79' ' ' MET . 8.2 mp -112.31 159.16 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.405 0.621 . . . . 1.0 111.914 -176.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -96.43 109.46 22.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.909 -1.042 . . . . 1.0 109.244 175.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 32' ' ' ILE . 41.1 mm -98.7 110.0 25.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.117 0.484 . . . . 1.0 110.455 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 35.8 t -94.69 101.38 13.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 49.9 mt -85.09 93.05 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 176.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.56 -87.7 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.015 -0.612 . . . . 1.0 112.455 -177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -120.25 0.27 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.535 0.207 . . . . 1.0 111.038 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG1' ' HE2' ' A' ' 15' ' ' LYS . 44.8 t -115.18 117.91 57.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.741 0.305 . . . . 1.0 111.092 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 44.4 t -95.92 120.74 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.713 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 36' ' ' ILE . 74.7 mmtt -118.72 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.092 178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 m -104.13 123.95 48.21 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' HD13 ' A' ' 32' ' ' ILE . 70.7 mtp -136.88 157.17 47.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.881 0.372 . . . . 1.0 110.995 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 HE22 ' HD1' ' A' ' -1' ' ' PHE . 27.3 mt-30 -104.39 127.06 51.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.449 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.78 -179.01 3.62 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 34.4 mt-10 -112.5 147.78 37.8 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.15 -32.79 96.51 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.14 1.893 . . . . 1.0 111.332 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 p -76.19 -15.22 60.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.688 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 91.4 m -65.22 129.96 41.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.952 0.406 . . . . 1.0 111.162 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.606 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 84.7 mmm -78.88 156.75 28.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.436 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 62' ' ' LEU . 92.9 t -64.02 -40.12 87.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.718 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 31.2 p90 -63.9 -27.02 68.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.39 0.614 . . . . 1.0 109.965 177.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.59 -46.41 14.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.254 -0.884 . . . . 1.0 110.08 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.94 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.778 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.6 t -63.51 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.23 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 19.2 ttm105 -68.6 -38.77 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.774 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.47 -40.63 83.23 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 8' ' ' ILE . 29.5 mm -62.58 -40.55 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.496 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 31.9 mtp-105 -67.24 -37.69 83.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.6 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.6 mm-40 -79.9 -33.2 40.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 1.0 111.357 -176.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -85.99 -43.71 12.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.249 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' A' ' 15' ' ' LYS . 28.9 mt -114.58 120.17 38.32 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -173.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.98 -21.11 14.38 Favored 'Trans proline' 0 CA--C 1.516 -0.391 0 C-N-CA 122.596 2.198 . . . . 1.0 110.624 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.94 -29.35 69.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.734 -1.121 . . . . 1.0 110.59 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -71.93 -18.36 62.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.296 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -81.6 94.85 7.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.531 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.08 18.63 2.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.452 -0.795 . . . . 1.0 109.863 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.86 -176.69 35.68 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.655 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 40.4 Cg_endo -66.5 150.69 84.03 Favored 'Trans proline' 0 CA--C 1.51 -0.708 0 C-N-CA 122.72 2.28 . . . . 1.0 112.657 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 37.4 Cg_endo -66.65 -20.11 53.37 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.131 1.888 . . . . 1.0 113.032 -170.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.4 -11.0 41.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.118 0.485 . . . . 1.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 30.3 t70 -77.87 -35.93 50.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 73.3 m-85 -99.76 -179.89 4.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.632 -1.167 . . . . 1.0 109.171 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.7 177.62 45.94 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.475 -0.869 . . . . 1.0 112.03 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 25' ' ' VAL . 71.6 mt -92.88 126.75 38.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.111 0.481 . . . . 1.0 110.221 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -115.27 111.92 21.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.587 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 62' ' ' LEU . 52.7 tp -70.9 102.78 2.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.409 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 43.2 m -69.83 147.16 50.72 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.315 0.579 . . . . 1.0 111.14 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.607 ' OD2' ' HB2' ' A' ' 58' ' ' LYS . 3.2 p-10 -128.13 -166.64 1.65 Allowed 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.136 -0.938 . . . . 1.0 109.452 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.42 -27.47 41.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 1.0 111.058 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' LYS . 15.0 t70 -131.13 105.11 14.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -50.74 1.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 1 C-N-CA 125.668 4.246 . . . . 1.0 116.14 -164.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' ASP . 41.2 ttmt -98.45 -15.22 19.7 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 64.3 mttm -96.5 -19.16 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.552 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.21 147.52 44.66 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.813 -0.63 . . . . 1.0 112.016 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 pt -123.23 149.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.91 0.386 . . . . 1.0 111.669 -173.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.633 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 93.6 m95 -84.11 127.96 34.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.426 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 51' ' ' LEU . 6.8 mp -76.69 127.28 32.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 41.2 mt-10 -75.4 130.68 39.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.808 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.718 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -54.2 -34.63 61.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.667 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.72 10.09 66.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.951 -0.643 . . . . 1.0 112.98 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 34.3 mmtp -109.85 169.96 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -103.94 169.81 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.829 0.347 . . . . 1.0 111.233 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.1 mt -70.33 -41.97 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.875 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.2 -29.51 68.76 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.206 0.527 . . . . 1.0 110.701 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 67.1 t80 -54.37 -37.69 65.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.191 -0.913 . . . . 1.0 111.098 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.36 -1.67 47.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.375 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.4 mtm 59.78 31.26 20.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.94 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 68' ' ' LEU . 1.9 pp -72.71 152.29 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.999 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 77' ' ' ASP . 11.6 ptm180 -131.06 -176.78 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.566 0.698 . . . . 1.0 112.703 -170.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 2.2 m-20 -75.12 112.0 10.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.804 -1.089 . . . . 1.0 109.186 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.54 -12.36 23.3 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.295 -0.722 . . . . 1.0 111.295 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -65.59 152.74 43.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.528 0.204 . . . . 1.0 110.549 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.4 m -113.09 127.21 56.14 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 1.0 110.748 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.2 mtm -126.59 132.01 51.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 172.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.578 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.8 mt-10 -94.73 108.6 20.6 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 t80 -75.95 103.91 6.24 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.918 -1.141 . . . . 1.0 107.918 170.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.633 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 9.9 ptm180 -148.46 167.33 25.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.147 -172.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.9 tttp -63.34 133.57 54.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 177.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.466 ' HA ' ' CH2' ' A' ' 61' ' ' TRP . 8.3 mtpm? -60.79 119.48 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 1.0 110.603 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.414 -0.803 . . . . 1.0 109.742 -179.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 111.844 -0.502 . . . . 1.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 42.4 pt -89.39 151.95 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 38.9 t70 -78.02 119.12 76.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.109 178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 17.0 Cg_exo -66.9 114.93 3.34 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.847 2.365 . . . . 1.0 112.103 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -80.99 132.68 35.39 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.255 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 61.0 m -70.14 115.68 9.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.449 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.2 mtp 55.49 -150.77 0.41 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.04 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.54 93.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.733 0.777 . . . . 1.0 109.453 173.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.58 139.75 33.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.61 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 73' ' ' LEU . 8.5 mp -83.64 104.36 13.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.762 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' ASN . 8.3 m -95.85 104.6 16.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.222 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 73' ' ' LEU . 6.9 mp -115.6 152.38 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.336 0.589 . . . . 1.0 111.075 -177.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 33.9 mmtp -85.56 108.79 18.12 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.056 -0.975 . . . . 1.0 109.34 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.601 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.0 mm -94.16 113.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 1.0 110.762 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 33.7 t -88.5 114.69 25.39 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.094 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.3 mt -110.6 98.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 173.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.95 -92.77 0.83 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.267 -0.733 . . . . 1.0 111.267 -174.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -134.21 8.82 3.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.106 0.479 . . . . 1.0 110.077 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.87 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.017 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 45.9 t -99.38 119.14 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.584 0.707 . . . . 1.0 110.918 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.9 127.15 55.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.278 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 115.1 15.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.197 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.487 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.8 mmm -119.76 138.24 53.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.92 111.42 23.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.025 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' HD1' ' SD ' ' A' ' 31' ' ' MET . 50.3 m-85 -105.97 176.61 5.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.988 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 44.0 mt-10 -99.93 150.59 36.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -62.32 -31.19 81.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.315 2.01 . . . . 1.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -87.86 2.86 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.187 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 86.7 m -73.28 129.19 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.952 0.406 . . . . 1.0 110.84 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.4 mmt -69.8 156.16 39.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.548 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 82.0 t -64.57 -39.37 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 O-C-N 122.318 -0.239 . . . . 1.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.805 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -68.66 -25.29 64.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.418 0.627 . . . . 1.0 109.619 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.569 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 32.6 t70 -82.56 -27.55 31.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.21 -45.5 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.937 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 8.9 p -66.67 -27.35 67.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.164 0.507 . . . . 1.0 109.752 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 51.5 ttt180 -55.54 -47.64 76.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.219 -0.9 . . . . 1.0 110.579 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.486 ' SD ' ' HD1' ' A' ' 19' ' ' PHE . 61.5 mtt -60.02 -35.84 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.845 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 17' ' ' MET . 18.4 mm -65.65 -47.61 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.29 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.575 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 24.5 ptt85 -72.62 -29.78 63.77 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.113 0.412 . . . . 1.0 112.113 -177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -81.82 -38.07 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.714 -0.395 . . . . 1.0 111.941 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -88.55 -22.32 23.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.744 0.306 . . . . 1.0 111.436 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.39 117.78 26.52 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.75 -18.6 21.97 Favored 'Trans proline' 0 CA--C 1.516 -0.393 0 C-N-CA 122.81 2.34 . . . . 1.0 111.163 -176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.13 -29.92 69.78 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.042 -0.981 . . . . 1.0 110.189 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -67.7 -21.7 65.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.421 -0.809 . . . . 1.0 111.292 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -86.32 13.81 7.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.411 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -18.74 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.482 0.658 . . . . 1.0 109.494 172.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.607 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -128.5 170.73 19.71 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.09 -0.959 . . . . 1.0 110.94 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.3 Cg_exo -73.65 134.34 20.14 Favored 'Trans proline' 0 CA--C 1.51 -0.72 0 C-N-CA 122.666 2.244 . . . . 1.0 112.285 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 31.8 Cg_exo -59.23 -30.37 92.79 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.782 2.321 . . . . 1.0 113.773 -171.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -91.28 2.07 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 1.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -109.81 0.04 18.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 1.0 109.539 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CE1' ' HA3' ' A' ' 42' ' ' GLY . 12.3 m-85 -117.25 147.32 42.64 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.463 -0.79 . . . . 1.0 109.156 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.58 177.44 28.64 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.236 -0.983 . . . . 1.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 25' ' ' VAL . 69.4 mt -92.45 125.94 37.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 1.0 110.288 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -114.53 106.56 14.41 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.645 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' HD21 ' A' ' 62' ' ' LEU . 56.1 tp -64.71 108.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -84.19 154.66 22.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.907 -0.588 . . . . 1.0 111.217 -172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -138.18 176.13 8.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -59.0 -34.89 72.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.795 -0.446 . . . . 1.0 109.795 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' OD2' ' HB3' ' A' ' 57' ' ' LYS . 16.7 t70 -111.39 124.73 31.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.598 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.8 -12.05 32.29 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.914 2.41 . . . . 1.0 113.856 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HB3' ' OD2' ' A' ' 55' ' ' ASP . 21.7 ttmm -84.87 -27.78 26.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 1.0 110.545 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.91 -23.81 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 1.0 110.189 176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.5 144.76 48.87 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.585 -0.734 . . . . 1.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.8 pt -129.3 154.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.822 0.344 . . . . 1.0 111.2 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 96.9 m95 -82.45 144.02 30.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.723 174.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 79' ' ' MET . 32.1 mt -94.22 139.79 30.58 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.515 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' CG ' ' A' ' 66' ' ' LYS . 42.7 mt-10 -75.35 122.01 23.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.907 176.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.805 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -56.78 -27.9 60.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.032 0.533 . . . . 1.0 112.404 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.81 3.41 86.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.881 -0.675 . . . . 1.0 113.054 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 63' ' ' GLU . 45.7 mmtm -101.22 171.13 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.98 164.3 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.526 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.43 -31.22 66.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.042 0.449 . . . . 1.0 110.341 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.71 -26.94 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.589 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -55.84 -39.39 71.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.69 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -93.29 -2.41 55.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.278 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.1 mtp 58.52 80.74 0.17 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.482 0.658 . . . . 1.0 111.551 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.757 ' HB2' HD23 ' A' ' 4' ' ' LEU . 59.3 mt -111.57 149.57 31.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.976 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -140.35 177.96 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.874 0.369 . . . . 1.0 110.454 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.545 HD22 ' HB2' ' A' ' 5' ' ' SER . 22.5 t-20 -62.2 115.18 3.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.484 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.94 -20.47 8.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.401 -0.904 . . . . 1.0 113.063 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.04 161.1 22.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.902 0.351 . . . . 1.0 110.617 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -125.93 129.25 48.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.77 0.319 . . . . 1.0 111.276 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.601 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 35.7 mtm -132.34 133.11 43.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 174.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.587 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 32.4 tt0 -98.17 104.93 17.01 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.966 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 32' ' ' ILE . 69.1 t80 -75.87 103.69 6.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 173.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.587 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 14.6 ptm180 -137.91 172.11 13.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.63 -171.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -73.13 132.33 43.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.004 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -76.43 162.9 27.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.143 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.377 -0.82 . . . . 1.0 109.476 178.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.501 -0.24 . . . . 1.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -121.47 147.43 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -77.82 118.16 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.622 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.93 116.94 4.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.596 2.198 . . . . 1.0 109.803 170.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -71.42 127.78 33.71 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.467 -172.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.8 m -64.36 -54.86 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.823 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttp -71.09 155.31 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 p -59.1 107.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.522 0.677 . . . . 1.0 110.505 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.41 133.72 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.768 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 73' ' ' LEU . 7.3 mp -76.61 102.55 6.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.527 -0.761 . . . . 1.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 31.6 m -97.76 103.46 15.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.75 -176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.907 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.6 mp -112.99 159.94 18.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.538 . . . . 1.0 111.081 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 45.4 mmtm -91.9 118.9 31.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.375 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 10' ' ' ILE . 35.4 mm -90.15 115.21 29.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.292 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 15.7 t -99.47 101.34 12.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 8' ' ' ILE . 65.5 mt -94.15 95.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.76 -77.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.88 -0.676 . . . . 1.0 111.526 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -140.13 2.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.737 0.303 . . . . 1.0 110.211 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.59 110.08 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.899 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 7' ' ' LYS . 61.4 t -95.57 111.9 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -121.3 143.36 49.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.417 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 m -83.41 134.94 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.766 0.317 . . . . 1.0 111.381 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.543 ' SD ' ' HG2' ' A' ' 35' ' ' ARG . 63.9 mmm -134.66 141.13 46.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.588 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -100.51 114.66 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.992 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 80.5 m-85 -112.53 152.22 29.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.797 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -89.22 142.79 30.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -60.55 -28.17 86.16 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.564 2.176 . . . . 1.0 112.835 -176.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 m -94.47 15.54 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.681 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -78.87 136.17 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.114 -0.328 . . . . 1.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 93.2 mmm -71.41 144.19 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 62' ' ' LEU . 74.7 t -57.04 -43.94 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.147 0.425 . . . . 1.0 112.147 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.604 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 43.3 p90 -68.04 -27.06 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 1.0 110.354 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 12.3 t70 -81.4 -31.2 33.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.881 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 32' ' ' ILE . . . -64.56 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.833 173.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' ' 49' ' ' LEU . 59.4 m -60.98 -40.58 94.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.549 0.69 . . . . 1.0 109.616 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 56.7 ttt180 -57.88 -42.32 84.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.541 175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.8 mtt -63.15 -37.0 85.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 1.0 111.677 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' ALA . 14.0 mt -68.64 -43.07 83.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 33' ' ' ARG . 10.3 mtp180 -55.61 -35.69 66.14 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.508 0.505 . . . . 1.0 110.518 174.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 72.3 mm-40 -79.09 -34.98 43.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.721 . . . . 1.0 111.382 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' HG2' ' SD ' ' A' ' 17' ' ' MET . 21.7 tpp180 -86.5 -48.44 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.148 0.499 . . . . 1.0 110.973 -174.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 38' ' ' GLU . 11.6 mt -116.16 127.99 26.33 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.646 -174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.41 -15.56 27.91 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.526 2.15 . . . . 1.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 36' ' ' ILE . 41.1 mt-10 -72.59 -22.96 60.9 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 114.432 -1.258 . . . . 1.0 110.838 -174.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -79.93 -12.62 59.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.965 0.412 . . . . 1.0 111.48 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.84 127.92 32.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.693 -177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.14 -36.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.461 -175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.71 -176.11 39.25 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.822 -0.704 . . . . 1.0 111.933 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 22.4 Cg_exo -63.77 146.11 91.62 Favored 'Trans proline' 0 CA--C 1.507 -0.868 0 C-N-CA 123.072 2.515 . . . . 1.0 112.654 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 14.7 Cg_exo -67.9 -4.44 12.39 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.446 2.098 . . . . 1.0 112.847 -172.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -91.22 -20.48 21.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.582 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.11 -20.89 29.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.617 0.722 . . . . 1.0 109.443 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 85.5 m-85 -111.52 -179.74 3.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.159 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.3 170.29 42.79 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.178 -1.01 . . . . 1.0 112.256 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' ' 29' ' ' CYS . 81.7 mt -85.63 129.67 34.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.945 0.402 . . . . 1.0 109.962 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -119.58 113.04 20.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.66 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.0 tp -71.13 102.91 2.6 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.931 -0.766 . . . . 1.0 108.931 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 p -68.62 144.35 54.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 1.0 112.058 -172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -141.98 -170.75 3.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.141 0.496 . . . . 1.0 110.114 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.05 136.66 28.42 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.42 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.67 -14.36 39.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.178 2.585 . . . . 1.0 113.504 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -78.33 -30.99 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.42 0.629 . . . . 1.0 109.983 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.93 -22.77 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.068 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.49 132.93 25.34 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.03 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.27 0.557 . . . . 1.0 112.182 -173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.557 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 88.4 m95 -84.65 122.26 28.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.431 175.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.2 mp -75.07 133.08 41.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.221 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 37.5 mt-10 -80.03 138.11 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.634 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -57.29 -35.35 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.287 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.29 5.64 59.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.989 -0.624 . . . . 1.0 113.249 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 30.4 mmtp -114.99 167.28 10.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.574 -0.369 . . . . 1.0 110.219 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.11 171.58 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.323 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 73' ' ' LEU . 79.7 mt -70.23 -50.44 39.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 1.0 112.283 -176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.74 -23.29 64.83 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.226 0.536 . . . . 1.0 110.898 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -63.39 -26.06 68.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.54 -0.754 . . . . 1.0 111.003 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -101.17 3.66 41.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.543 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.8 mtm 56.04 35.18 25.12 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.025 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.907 ' HB2' HD21 ' A' ' 6' ' ' LEU . 1.8 pp -76.72 144.87 39.03 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.157 -0.683 . . . . 1.0 109.157 173.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 74' ' ' ARG . 7.1 mtt180 -130.84 158.0 41.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.692 -0.231 . . . . 1.0 111.24 -165.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 5' ' ' SER . 2.8 p-10 -62.31 129.65 41.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.614 -0.513 . . . . 1.0 109.614 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.87 -17.31 56.54 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.697 -0.763 . . . . 1.0 111.797 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -79.87 164.58 23.47 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.337 0.589 . . . . 1.0 110.305 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.8 m -121.58 136.43 54.95 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.348 -0.842 . . . . 1.0 111.075 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.44 ' CE ' HD13 ' A' ' 49' ' ' LEU . 48.0 mtm -133.42 139.32 46.68 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.858 173.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 41.1 mt-10 -94.03 108.96 20.74 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.333 178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 79.1 t80 -78.91 103.26 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 168.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 10.1 ptm180 -144.5 166.64 24.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.619 -171.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 86.0 tttt -64.71 129.61 40.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.086 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -94.85 160.43 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.552 -176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.181 -0.914 . . . . 1.0 109.449 179.692 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.054 -0.418 . . . . 1.0 112.054 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.98 121.71 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.406 -0.22 . . . . 1.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.45 145.29 94.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.47 141.9 82.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.518 2.146 . . . . 1.0 111.119 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -114.02 106.94 15.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.023 0.439 . . . . 1.0 111.369 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 1' ' ' MET . 9.8 t -154.2 -30.33 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.192 175.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' HG23 ' A' ' 0' ' ' THR . 26.4 mmt -119.54 132.7 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 109.694 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.9 t 56.62 55.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.905 0.859 . . . . 1.0 109.894 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.12 109.94 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.157 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 73' ' ' LEU . 72.5 mt -76.57 106.95 8.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.486 -175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.586 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 5.7 m -102.75 104.24 14.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.443 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 73' ' ' LEU . 7.1 mp -117.3 154.15 31.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.225 0.536 . . . . 1.0 111.488 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.77 104.92 14.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.148 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.25 113.29 29.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.291 -178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -93.03 101.44 13.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.232 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 HG12 ' HB3' ' A' ' 81' ' ' TYR . 60.8 mt -96.67 93.38 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.752 -0.833 . . . . 1.0 108.752 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -100.67 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.599 -0.81 . . . . 1.0 111.471 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -109.66 -14.22 14.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.408 0.623 . . . . 1.0 110.145 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' HG2' ' A' ' 15' ' ' LYS . 41.7 t -86.33 99.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.705 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.46 114.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.948 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' HG12 ' A' ' 13' ' ' VAL . 74.1 mmtt -121.52 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.316 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -82.22 113.61 20.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.63 0.729 . . . . 1.0 109.431 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.617 ' HG3' HD11 ' A' ' 32' ' ' ILE . 92.0 mmm -111.33 137.08 49.54 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.286 -176.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -112.88 107.3 15.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.98 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -102.76 -179.88 4.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.774 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 59.2 mm-40 -89.19 147.96 39.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 171.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.93 -38.4 92.9 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 121.864 1.709 . . . . 1.0 111.904 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -89.14 14.06 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 1.0 112.001 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 96.8 m -73.45 133.0 43.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.3 . . . . 1.0 110.316 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -76.09 147.81 38.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.078 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 62' ' ' LEU . 60.5 t -57.17 -50.45 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -175.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 29.8 p90 -66.88 -27.04 67.2 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.09 0.471 . . . . 1.0 110.414 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' MET . 37.1 t70 -77.55 -39.56 45.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.012 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.82 -37.29 86.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.312 0.577 . . . . 1.0 109.88 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HG ' ' HE2' ' A' ' 81' ' ' TYR . 32.6 t -60.15 -41.75 93.42 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.013 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 69.0 ttt180 -65.38 -44.51 87.34 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.175 176.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 63.3 mtt -53.16 -40.7 64.52 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.427 0.454 . . . . 1.0 111.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' HG3' ' A' ' 17' ' ' MET . 4.4 mm -57.74 -39.99 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.297 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 11.4 mtm180 -72.01 -41.2 67.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.212 0.529 . . . . 1.0 110.332 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 27.7 mm-40 -65.69 -34.91 79.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.652 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -86.32 -38.3 17.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.781 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 38' ' ' GLU . 60.8 mt -122.26 119.14 28.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.31 -0.404 . . . . 1.0 109.917 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 40' ' ' LEU . 80.3 Cg_endo -70.09 -14.35 34.95 Favored 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.964 2.442 . . . . 1.0 111.382 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 36' ' ' ILE . 18.5 mm-40 -62.68 -30.1 71.14 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.403 -178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -91.59 -2.22 57.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.823 -0.626 . . . . 1.0 112.083 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt -81.53 29.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.772 0.32 . . . . 1.0 111.68 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB3' ' HZ ' ' A' ' 47' ' ' PHE . . . -80.36 -23.27 40.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 1.0 110.814 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.63 179.13 35.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.586 -0.816 . . . . 1.0 112.556 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.91 158.42 52.79 Favored 'Trans proline' 0 CA--C 1.512 -0.578 0 C-N-CA 123.451 2.767 . . . . 1.0 112.487 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.5 -15.57 50.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.428 2.085 . . . . 1.0 113.651 -171.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -92.15 -10.27 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.556 0.217 . . . . 1.0 111.309 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.9 -33.77 21.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.6 0.714 . . . . 1.0 109.495 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 87.5 m-85 -96.24 -176.23 3.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.117 172.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.34 157.67 29.64 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.26 -0.971 . . . . 1.0 112.438 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 79' ' ' MET . 58.2 mt -85.98 119.21 26.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 175.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -103.51 115.64 30.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.502 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.624 ' HB2' HD21 ' A' ' 62' ' ' LEU . 46.4 tp -72.38 100.75 2.74 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 17.2 m -74.43 148.71 40.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.718 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -142.6 168.45 19.69 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.89 -27.73 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.497 0.665 . . . . 1.0 109.275 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.56 123.1 39.03 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 1.0 109.529 173.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.43 -23.29 76.51 Favored 'Trans proline' 0 CA--C 1.528 0.179 0 C-N-CA 123.019 2.48 . . . . 1.0 113.33 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -87.43 -21.42 25.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.954 0.406 . . . . 1.0 110.185 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -76.87 -14.62 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.175 0.512 . . . . 1.0 110.107 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -74.29 126.6 9.44 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.404 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.9 pt -128.76 158.17 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.843 0.354 . . . . 1.0 111.399 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.526 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 96.3 m95 -85.5 124.17 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.911 174.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 51' ' ' LEU . 41.5 mt -74.23 135.62 42.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.738 -176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.43 129.24 38.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.911 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.2 -37.89 75.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.243 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 15.89 20.0 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 116.159 -0.473 . . . . 1.0 112.705 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 72.7 mmtt -121.81 161.64 22.33 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.006 -0.368 . . . . 1.0 110.006 177.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.29 168.52 11.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' LEU . 85.0 mt -71.06 -44.68 65.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.99 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.74 -28.45 65.89 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.182 0.515 . . . . 1.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.55 -34.42 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.144 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -93.76 9.53 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.96 20.0 12.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.362 0.504 . . . . 1.0 112.362 172.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.734 ' HB2' HD21 ' A' ' 6' ' ' LEU . 3.2 pp -76.0 148.49 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -132.47 -175.49 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 1.0 111.262 -170.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 32.2 t30 -70.77 120.0 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.915 175.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.56 -11.9 35.84 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.684 -0.769 . . . . 1.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.02 161.28 30.86 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -121.51 131.29 54.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.011 0.434 . . . . 1.0 111.326 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 49' ' ' LEU . 44.1 mtm -130.1 139.01 50.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 173.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' ' 52' ' ' SER . 42.5 mt-10 -95.27 108.27 20.41 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.094 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.473 ' HE2' ' HG ' ' A' ' 29' ' ' CYS . 62.5 t80 -75.21 110.14 9.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.649 -0.871 . . . . 1.0 108.649 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 12.7 ptm180 -145.88 165.36 29.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.524 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 38.7 ttpt -75.94 131.32 39.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.694 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -80.55 169.86 17.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.744 0.307 . . . . 1.0 110.509 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.477 -0.773 . . . . 1.0 110.432 -177.376 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -88.47 124.21 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.26 116.78 19.12 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 123.533 0.52 . . . . 1.0 111.098 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -70.05 127.6 14.59 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.671 2.248 . . . . 1.0 112.077 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 1' ' ' MET . 45.8 p90 -114.03 20.07 15.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.615 -177.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 3' ' ' ALA . 85.2 m 75.94 -17.32 0.53 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.801 -0.636 . . . . 1.0 112.065 175.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HA ' ' CE2' ' A' ' -1' ' ' PHE . 71.8 mtm 70.67 -74.39 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.163 0.585 . . . . 1.0 110.755 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -85.37 78.7 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-O 122.218 1.009 . . . . 1.0 109.919 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' HB ' ' A' ' 0' ' ' THR . . . -137.76 154.63 49.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.017 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.6 mt -95.52 103.58 15.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.147 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.637 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 15.0 m -94.92 102.45 14.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.179 0.514 . . . . 1.0 110.014 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 73' ' ' LEU . 7.7 mp -114.9 153.66 30.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.235 0.54 . . . . 1.0 110.515 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -91.22 107.79 19.44 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.592 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' O ' ' A' ' 79' ' ' MET . 49.6 mm -92.74 113.61 28.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.622 -176.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 29.9 t -93.27 101.18 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.384 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 81' ' ' TYR . 96.5 mt -86.43 99.31 7.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 107.83 -1.174 . . . . 1.0 107.83 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.85 -115.86 6.48 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.274 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -103.63 -6.29 21.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.676 0.274 . . . . 1.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 t -106.53 127.7 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.354 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 38.8 t -107.92 134.24 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.006 0.432 . . . . 1.0 111.957 -172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -119.3 126.03 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.108 174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -75.69 110.91 10.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.115 -0.698 . . . . 1.0 109.115 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 17' ' ' MET . 81.2 mmm -113.77 140.05 48.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.489 -173.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -98.04 112.44 24.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.549 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.53 175.5 5.42 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.903 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -106.82 149.36 38.39 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 174.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.35 -46.36 31.86 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.57 2.18 . . . . 1.0 112.957 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -84.22 5.41 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.029 0.381 . . . . 1.0 112.029 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.0 m -67.5 120.64 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.838 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 89.5 mtp -77.6 155.02 31.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.27 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 HD12 ' A' ' 49' ' ' LEU . 76.0 t -57.9 -45.09 87.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.301 0.482 . . . . 1.0 112.301 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.696 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.6 p90 -64.63 -28.89 69.93 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.471 0.653 . . . . 1.0 109.854 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 16.5 t70 -81.76 -37.13 27.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.056 -0.974 . . . . 1.0 110.428 -176.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.84 78.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.354 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 67.1 m -61.88 -39.58 92.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 1.0 109.921 174.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 8.8 tpt180 -59.6 -43.24 93.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.328 176.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.35 -46.82 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.724 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 39' ' ' ALA . 25.9 mm -59.27 -38.11 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.278 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' HD2' ' HB3' ' A' ' 44' ' ' PRO . 74.5 mtp85 -68.33 -37.78 80.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.808 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.27 -32.45 29.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -83.35 -33.55 25.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.838 0.351 . . . . 1.0 111.154 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 38' ' ' GLU . 22.8 mt -127.2 126.39 24.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.101 -176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.97 -19.58 17.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 1.0 111.53 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 36' ' ' ILE . 63.1 mt-10 -64.79 -26.61 68.42 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.89 -175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HB2' HG22 ' A' ' 32' ' ' ILE . . . -77.09 -8.63 57.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.653 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.5 mt -91.52 19.48 6.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.11 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.24 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 1.0 110.29 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.92 -176.2 24.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -73.6 153.97 49.48 Favored 'Trans proline' 0 CA--C 1.513 -0.568 0 C-N-CA 122.502 2.135 . . . . 1.0 112.448 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.529 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 21.2 Cg_endo -61.9 -33.83 83.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.27 1.98 . . . . 1.0 113.114 -170.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -81.26 -19.63 42.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 1.0 111.16 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 43' ' ' PRO . 34.9 t70 -76.49 -27.58 56.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.985 -0.746 . . . . 1.0 108.985 175.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 41.4 m-85 -94.42 -171.7 2.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.115 -0.948 . . . . 1.0 109.046 171.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.85 171.61 44.53 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.253 -0.975 . . . . 1.0 112.321 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 25' ' ' VAL . 90.1 mt -98.45 116.19 30.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.255 0.55 . . . . 1.0 110.182 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -107.27 110.29 22.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.154 -0.93 . . . . 1.0 109.734 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 59' ' ' GLY . 48.3 tp -72.67 100.8 2.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 1.0 110.096 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.431 ' OG ' ' HG3' ' A' ' 80' ' ' GLU . 11.0 m -73.73 144.43 45.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.786 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -134.97 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.91 -35.8 81.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 1.0 109.749 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.74 129.2 30.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.032 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.82 -21.24 69.32 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.96 2.44 . . . . 1.0 113.968 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.12 -25.44 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 1.0 110.137 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.53 -13.74 60.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.627 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 51' ' ' LEU . . . -66.85 120.17 13.66 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.283 -0.727 . . . . 1.0 111.283 175.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.0 pt -126.56 146.31 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.911 0.386 . . . . 1.0 111.731 -174.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CH2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 m95 -83.69 127.05 33.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.512 173.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 25' ' ' VAL . 21.6 mt -81.02 150.99 28.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.628 0.251 . . . . 1.0 110.946 -175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 42.8 mt-10 -81.27 133.42 35.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.743 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 26' ' ' TYR . . . -58.49 -35.47 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.16 10.45 58.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.16 -0.543 . . . . 1.0 112.972 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' GLU . 32.7 mmtp -116.48 155.91 27.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.052 -0.351 . . . . 1.0 110.052 178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.838 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -94.87 171.61 8.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.873 0.368 . . . . 1.0 110.795 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.61 -34.23 67.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.869 0.366 . . . . 1.0 110.709 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.29 -27.98 69.7 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.19 0.519 . . . . 1.0 110.414 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 77.7 t80 -58.04 -33.28 68.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.579 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.66 7.7 43.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.395 -0.82 . . . . 1.0 110.681 -177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 73.7 mtm 55.47 38.55 30.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.335 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 6' ' ' LEU . 78.4 mt -69.57 132.61 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -129.21 168.28 16.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.738 0.304 . . . . 1.0 110.409 -174.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' SER . 21.3 p-10 -61.65 123.85 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.325 0.583 . . . . 1.0 110.662 177.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.81 -18.74 19.27 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.834 -0.698 . . . . 1.0 112.286 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.32 160.11 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.749 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.1 m -123.39 125.0 44.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.417 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 32.3 ttp -130.93 133.76 46.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.697 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.793 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 42.6 mt-10 -92.82 112.4 24.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 120.916 0.388 . . . . 1.0 111.498 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.438 ' HB3' HG12 ' A' ' 10' ' ' ILE . 37.5 t80 -75.78 103.25 5.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 164.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HG3' ' CH2' ' A' ' 61' ' ' TRP . 14.7 ptm180 -143.85 164.77 29.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.351 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 60.6 tttm -74.55 125.71 29.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.422 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -80.8 141.13 35.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 C--O 1.252 1.19 0 O-C-N 123.811 0.694 . . . . 1.0 111.099 178.825 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.372 -0.691 . . . . 1.0 111.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 12.8 tt -121.27 119.62 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.255 0.55 . . . . 1.0 110.59 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 t70 -80.56 124.96 81.74 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.35 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.552 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.5 Cg_exo -76.41 18.78 0.66 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.415 2.743 . . . . 1.0 113.748 -174.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' A' ' 1' ' ' MET . 82.9 t80 67.68 85.96 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.564 0.579 . . . . 1.0 112.564 169.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 81.8 p 55.97 14.56 1.44 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.794 1.035 . . . . 1.0 113.794 171.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.552 ' O ' ' HB2' ' A' ' -2' ' ' PRO . 26.3 ptt? 179.63 -169.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -177.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 2' ' ' VAL . 6.8 p -98.5 85.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.173 0.987 . . . . 1.0 109.448 171.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 19' ' ' PHE . . . -102.11 152.21 21.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.969 -1.014 . . . . 1.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . 74.1 mt -76.21 103.25 6.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.319 0.58 . . . . 1.0 109.89 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' ASN . 19.2 m -92.84 102.94 15.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.434 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 73' ' ' LEU . 8.1 mp -117.32 160.1 21.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 1.0 110.705 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -96.44 113.33 24.9 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.973 -0.751 . . . . 1.0 108.973 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.4 mm -101.27 120.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 1.0 110.789 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.649 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 7.6 t -103.6 111.37 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -99.18 96.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.12 -0.696 . . . . 1.0 109.12 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.11 -90.65 0.7 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.816 -0.707 . . . . 1.0 111.558 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -124.79 -5.47 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 1.0 110.349 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.49 111.03 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.658 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.5 t -99.28 110.72 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.38 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -117.63 139.17 51.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.456 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -75.48 114.5 14.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.095 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.572 ' HG3' HD11 ' A' ' 32' ' ' ILE . 77.7 mmm -115.58 135.85 53.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.169 0.509 . . . . 1.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -115.39 107.02 14.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.169 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 66.1 m-85 -102.18 177.52 4.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 1.0 109.618 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -99.66 155.25 36.69 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.64 -32.66 96.24 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.115 1.877 . . . . 1.0 111.425 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.4 m -92.56 10.03 32.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.214 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.3 m -73.78 120.01 18.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.005 0.431 . . . . 1.0 110.3 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HA ' ' HA ' ' A' ' 67' ' ' ALA . 81.0 mmm -78.19 157.83 29.23 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.933 -0.766 . . . . 1.0 108.933 176.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 64' ' ' ALA . 77.4 t -61.74 -38.22 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.946 0.35 . . . . 1.0 111.946 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.698 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 44.8 p90 -67.63 -23.32 65.34 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.477 0.656 . . . . 1.0 110.197 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.96 -37.03 27.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.543 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.09 -41.23 82.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.482 -0.781 . . . . 1.0 111.445 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' A' ' 26' ' ' TYR . 26.2 p -66.94 -32.87 74.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.105 0.478 . . . . 1.0 109.96 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 52.9 ttp180 -69.09 -32.4 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.326 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 61.6 mtt -66.07 -45.59 80.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.42 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.572 HD11 ' HG3' ' A' ' 17' ' ' MET . 21.0 mm -60.58 -42.37 91.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.647 -0.252 . . . . 1.0 111.558 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 35.5 ptt180 -62.27 -32.73 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 1.0 110.872 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.77 -34.3 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.123 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HB2' HD12 ' A' ' 36' ' ' ILE . 39.5 mmt180 -79.66 -50.55 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.31 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 38' ' ' GLU . 5.1 mp -112.94 125.92 29.06 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 1.0 109.801 -177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -75.2 -12.96 21.14 Favored 'Trans proline' 0 CA--C 1.516 -0.412 0 C-N-CA 122.998 2.465 . . . . 1.0 111.619 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 36' ' ' ILE . 17.9 mm-40 -66.71 -28.08 68.15 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.534 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . . . -71.0 -19.58 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.976 175.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.94 7.35 35.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.944 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.14 -22.01 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 1.0 110.289 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.63 -168.12 14.28 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 6.9 Cg_exo -71.8 138.07 30.94 Favored 'Trans proline' 0 CA--C 1.509 -0.76 0 C-N-CA 122.575 2.183 . . . . 1.0 111.698 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' PRO . 31.8 Cg_exo -58.58 -37.57 93.8 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.495 2.13 . . . . 1.0 113.35 -169.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -86.95 -0.9 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.292 . . . . 1.0 111.433 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 -25.04 38.82 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.81 -0.811 . . . . 1.0 108.81 170.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 83' ' ' LYS . 80.1 m-85 -91.96 -173.94 3.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.871 -1.059 . . . . 1.0 108.538 171.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.38 177.35 47.0 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.104 -1.046 . . . . 1.0 112.44 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD22 ' HE3' ' A' ' 79' ' ' MET . 28.0 mt -92.43 119.52 32.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.073 0.463 . . . . 1.0 109.938 176.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 90.4 t80 -101.82 118.25 36.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.847 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.96 110.57 7.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.294 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.5 m -69.07 134.87 49.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.073 0.463 . . . . 1.0 110.992 -177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -124.53 169.47 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.065 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.35 -34.68 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.995 0.426 . . . . 1.0 110.398 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.639 ' HB3' ' HE3' ' A' ' 58' ' ' LYS . 15.2 t70 -123.58 130.24 24.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.93 174.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.98 -33.08 60.7 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.658 2.906 . . . . 1.0 113.586 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -78.65 -17.38 56.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.0 111.083 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.639 ' HE3' ' HB3' ' A' ' 55' ' ' ASP . 8.3 mtmp? -97.58 -0.07 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.0 110.301 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.06 152.73 40.68 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.413 -0.675 . . . . 1.0 111.413 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.3 pt -127.22 164.44 28.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.884 0.373 . . . . 1.0 111.384 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.571 ' HH2' ' HG3' ' A' ' 82' ' ' ARG . 95.2 m95 -98.46 129.11 45.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.558 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 25' ' ' VAL . 7.0 mp -70.51 146.86 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.551 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -84.8 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.766 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . . . -56.29 -30.33 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.419 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.95 12.75 47.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.113 -0.565 . . . . 1.0 113.14 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -124.68 156.26 37.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.135 -0.32 . . . . 1.0 110.135 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 24' ' ' MET . . . -90.67 167.26 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.059 0.457 . . . . 1.0 110.862 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.42 -32.41 66.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.569 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.0 -19.66 63.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.425 0.631 . . . . 1.0 109.891 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.7 -32.92 73.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.1 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.83 8.93 41.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.642 -0.708 . . . . 1.0 111.724 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.3 mtm 62.83 30.66 16.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.41 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.694 ' HB3' HD21 ' A' ' 6' ' ' LEU . 88.4 mt -70.5 124.07 23.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 2.2 mmp_? -117.94 162.23 18.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.779 0.323 . . . . 1.0 111.167 -173.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.483 ' OD1' ' HA ' ' A' ' 4' ' ' LEU . 4.3 m-20 -63.77 116.04 5.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.197 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.51 -10.89 23.8 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.953 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -81.47 163.11 22.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 1.0 110.86 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -122.7 136.23 54.81 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.44 -0.8 . . . . 1.0 111.316 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.421 ' HE3' HD22 ' A' ' 49' ' ' LEU . 43.2 mtm -135.02 167.15 21.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 172.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.649 ' HG2' ' HB3' ' A' ' 9' ' ' SER . 52.6 mt-10 -120.52 111.78 18.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.8 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 32' ' ' ILE . 47.4 t80 -86.88 104.45 16.23 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.089 -1.078 . . . . 1.0 108.089 170.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HG3' ' HH2' ' A' ' 61' ' ' TRP . 14.3 ptm180 -145.31 163.34 34.8 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.455 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 47' ' ' PHE . 39.1 ttpt -62.64 128.33 35.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.72 118.88 6.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 1.0 110.873 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.588 -0.72 . . . . 1.0 110.039 -176.551 . . . . . . . . 0 0 . 1 stop_ save_