data_1p98_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 1p98 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp . . . . . 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' A' ' 57' ' ' ASP . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG13 ' CE ' ' A' ' 19' ' ' MET . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.431 ' CD1' HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG2' ' HG2' ' A' ' 31' ' ' LYS . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 61' ' ' ILE . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' CG ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 36' ' ' LYS . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 72' ' ' VAL . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 21' ' ' PRO . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 ' CD2' ' A' ' 7' ' ' LEU . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.506 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG12 HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.74 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp . . . . . 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 7' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 7' ' ' LEU . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' ' CG ' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.402 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 7' ' ' LEU . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 21' ' ' PRO . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.41 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.441 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 HG21 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.429 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp . . . . . 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 7' ' ' LEU . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.507 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 46' ' ' GLN . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CG ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' CG ' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 7' ' ' LEU . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.423 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 5' ' ' ILE . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.184 -2.365 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CG2' ' HG2' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.512 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.423 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 46' ' ' GLN . 14.1 t . . . . . 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 tttp . . . . . 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 7' ' ' LEU . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.516 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.1 t30 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG2' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 46' ' ' GLN . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' CD2' HG12 ' A' ' 72' ' ' VAL . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.434 HG13 ' CE ' ' A' ' 19' ' ' MET . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.202 -1.424 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp . . . . . 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 121.416 0.627 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 7' ' ' LEU . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD22 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.964 0.888 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.41 170.66 13.79 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.092 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.6 -162.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.319 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.7 m -131.94 95.72 3.76 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 125.131 1.52 . . . . 0.0 110.125 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -60.62 166.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 118.802 -1.159 . . . . 0.0 109.935 175.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp -164.28 120.08 1.55 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.5 p -62.08 -127.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.405 0.621 . . . . 0.0 112.382 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 36.25 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.588 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 91.14 -22.19 0.1 Allowed 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.432 1.708 . . . . 0.0 111.127 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.794 1.309 . . . . 0.0 112.169 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -128.66 140.13 51.91 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.018 1.449 . . . . 0.0 108.614 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.94 120.72 11.91 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.966 2.041 . . . . 0.0 108.808 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HZ3' ' HB3' ' A' ' 57' ' ' ASP . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG13 ' CE ' ' A' ' 19' ' ' MET . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.0 t -135.63 129.01 48.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 t -44.18 129.58 6.2 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.456 1.723 . . . . 0.0 111.578 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.6 tptp . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.028 -177.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mmm . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 121.353 0.597 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.72 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.875 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.094 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.429 ' CG2' ' HD3' ' A' ' 21' ' ' PRO . 3.0 m -131.4 -159.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 114.05 -1.432 . . . . 0.0 107.749 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.94 173.93 7.9 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 123.016 1.388 . . . . 0.0 110.931 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -151.42 163.27 2.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.374 -176.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' CD1' HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.96 141.98 47.5 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 40.7 p -95.5 -7.55 37.75 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.676 1.86 . . . . 0.0 113.665 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 73' ' ' VAL . 1.2 mt 86.31 -29.72 0.06 Allowed 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.173 1.546 . . . . 0.0 111.287 173.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.46 -8.5 59.57 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 113.084 -1.871 . . . . 0.0 112.006 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 124.1 -18.28 0.01 OUTLIER 'General case' 0 C--N 1.369 1.428 0 O-C-N 126.038 2.086 . . . . 0.0 112.559 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -79.7 90.48 5.2 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.224 0.952 . . . . 0.0 110.075 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -103.92 113.53 27.13 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.115 -1.857 . . . . 0.0 108.62 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG2' ' HG2' ' A' ' 31' ' ' LYS . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 61' ' ' ILE . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' CG ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 36' ' ' LYS . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 72' ' ' VAL . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 21' ' ' PRO . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 10' ' ' LEU . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 t -141.52 153.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.38 112.56 24.51 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.152 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.339 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 121.643 0.735 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.23 171.61 14.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.006 -1.907 . . . . 0.0 109.524 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 m -72.82 -161.67 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.745 -1.571 . . . . 0.0 109.283 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.61 172.17 7.19 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 123.148 1.452 . . . . 0.0 110.559 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -144.18 163.56 14.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.37 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -160.77 129.66 4.73 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.473 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 20.6 p -86.08 72.45 10.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.7 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.85 -30.67 0.18 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.385 1.678 . . . . 0.0 112.483 176.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 9' ' ' THR . 4.7 tt0 161.49 -51.66 0.0 OUTLIER 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.084 1.49 . . . . 0.0 110.527 -174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -34.95 -69.58 0.1 Allowed 'General case' 0 C--N 1.356 0.875 0 O-C-N 125.864 1.977 . . . . 0.0 112.174 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.95 149.7 30.29 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.756 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.93 116.86 10.44 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 126.024 2.078 . . . . 0.0 108.439 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 ' CD2' ' A' ' 7' ' ' LEU . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.506 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.473 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG12 HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.3 t -140.39 150.48 21.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.54 96.7 8.13 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.061 -1.881 . . . . 0.0 109.155 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.557 1.217 0 O-C-N 124.791 1.307 . . . . 0.0 111.339 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.083 0.468 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.84 174.16 0.07 Allowed 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.203 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.62 -164.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.324 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.9 m -130.34 97.29 4.37 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.448 1.717 . . . . 0.0 109.851 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -59.7 158.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 124.282 0.989 . . . . 0.0 109.178 174.351 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp -163.58 122.96 2.07 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.416 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 59.1 p -62.18 -127.44 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.773 0.796 . . . . 0.0 112.171 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.17 35.73 0.86 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.249 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 88.53 -18.77 0.23 Allowed 'General case' 0 C--N 1.359 0.986 0 O-C-N 125.161 1.538 . . . . 0.0 111.758 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.81 -46.98 67.24 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.541 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -124.86 144.37 50.35 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 114.02 -1.445 . . . . 0.0 109.201 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.06 139.08 41.06 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.17 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 7' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.496 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 7' ' ' LEU . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' ' CG ' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.402 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 7' ' ' LEU . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 21' ' ' PRO . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -142.37 138.31 29.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m 70.02 128.17 0.03 OUTLIER 'General case' 0 C--N 1.359 1.007 0 O-C-N 125.7 1.875 . . . . 0.0 108.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 tptm . . . . . 0 CA--C 1.558 1.268 0 O-C-N 124.574 1.171 . . . . 0.0 111.535 -179.414 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 121.929 0.871 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 169.99 16.8 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.582 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.05 -159.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.127 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 m -118.99 174.54 6.25 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.558 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.54 159.47 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -157.04 129.03 7.21 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.4 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 48.1 p -86.38 72.53 10.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.47 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 78.25 -40.52 0.29 Allowed 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.463 1.727 . . . . 0.0 112.036 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 168.49 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 O-C-N 124.849 1.343 . . . . 0.0 111.763 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -42.04 -62.11 1.0 Allowed 'General case' 0 C--N 1.355 0.84 0 O-C-N 125.344 1.652 . . . . 0.0 112.543 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.71 155.93 25.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.09 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.58 124.15 8.41 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 125.566 1.791 . . . . 0.0 108.673 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.441 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.8 t -135.98 133.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 m -125.94 121.88 34.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.389 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.986 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.997 0.427 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.71 174.64 0.07 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.788 0.804 . . . . 0.0 111.113 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -94.33 -161.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.599 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.74 171.55 7.68 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.396 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -145.1 164.77 12.26 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 -179.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD11 HG21 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 174.13 10.65 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.404 ' CG2' ' HB2' ' A' ' 13' ' ' GLN . 9.3 p -114.92 4.67 14.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.728 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 HD23 ' CG1' ' A' ' 73' ' ' VAL . 0.1 OUTLIER 86.88 -32.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.47 1.731 . . . . 0.0 109.496 175.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.19 -26.43 19.05 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.1 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 159.37 -43.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.492 0 O-C-N 125.291 1.619 . . . . 0.0 113.091 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 13.9 mt-30 -58.1 125.17 22.03 Favored 'General case' 0 C--O 1.212 -0.897 0 O-C-N 123.957 0.785 . . . . 0.0 110.798 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.42 117.69 21.82 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 125.423 1.702 . . . . 0.0 109.205 -176.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.429 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.414 ' CG1' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.44 149.78 20.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.7 p -81.85 130.27 35.01 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.508 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.203 0 CA-C-N 113.647 -1.615 . . . . 0.0 113.068 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.465 0.65 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.2 171.52 8.39 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.54 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 m -91.27 -170.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 113.88 -1.509 . . . . 0.0 109.617 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.75 170.05 8.17 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.109 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -142.41 116.52 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.168 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp -163.12 125.01 2.53 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 p -62.09 -127.26 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.701 0.762 . . . . 0.0 111.697 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.69 36.22 0.9 Allowed 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.343 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 89.73 -22.48 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.616 1.823 . . . . 0.0 111.369 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -70.22 -37.22 74.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 125.054 1.471 . . . . 0.0 111.157 -176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -130.48 150.19 51.81 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.961 1.413 . . . . 0.0 109.715 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.33 126.72 20.04 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.907 2.004 . . . . 0.0 109.056 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 7' ' ' LEU . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.507 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 46' ' ' GLN . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CG ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' CG ' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 7' ' ' LEU . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.423 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 5' ' ' ILE . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.39 116.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.74 108.53 8.65 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.917 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.763 0 O-C-N 125.486 1.741 . . . . 0.0 109.964 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.832 0.825 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.47 170.59 8.3 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.687 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 m -75.34 -165.1 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 113.835 -1.53 . . . . 0.0 109.753 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 171.83 7.45 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.192 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -144.79 163.42 13.46 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 CA-C-N 112.612 -2.085 . . . . 0.0 106.028 -178.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -139.97 142.49 36.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 18.7 p -95.54 1.55 53.91 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 125.286 1.616 . . . . 0.0 112.867 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD22 ' CG1' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 85.24 -34.96 0.05 OUTLIER 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.882 1.364 . . . . 0.0 110.898 171.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -79.95 -27.71 39.76 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.785 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 157.51 -37.22 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 0 O-C-N 125.175 1.547 . . . . 0.0 113.347 -176.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.99 95.12 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.03 0.831 . . . . 0.0 111.594 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.66 112.68 23.26 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.424 -1.716 . . . . 0.0 107.839 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CG2' ' HG2' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.512 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' VAL . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.423 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 10' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 46' ' ' GLN . 14.1 t -141.05 142.96 28.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 p -64.51 119.38 10.33 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 113.116 -1.856 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.464 0.65 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.91 171.45 13.54 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.623 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -88.75 172.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.453 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.8 m -109.09 89.64 3.05 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.268 -1.787 . . . . 0.0 109.043 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -51.28 160.58 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.647 173.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 11' ' ' GLN . 4.7 tttp -158.91 131.22 6.75 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.463 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 44.9 p -87.77 70.39 9.61 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.104 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 82.62 -36.31 0.09 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.933 -1.94 . . . . 0.0 110.867 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 162.29 -46.82 0.0 OUTLIER 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.345 1.653 . . . . 0.0 112.067 -173.447 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -40.24 -66.59 0.3 Allowed 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.568 1.793 . . . . 0.0 112.365 -175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.76 151.92 29.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 113.758 -1.565 . . . . 0.0 108.957 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 121.29 11.83 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.706 1.879 . . . . 0.0 108.67 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 7' ' ' LEU . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.516 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 57' ' ' ASP . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' CZ ' HG22 ' A' ' 9' ' ' THR . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.1 t30 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.04 142.95 32.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.2 t -90.95 144.8 25.3 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.413 -1.722 . . . . 0.0 110.141 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.822 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.318 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.09 -177.11 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.014 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 m -105.11 173.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.491 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 m -107.54 91.2 3.56 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 112.969 -1.923 . . . . 0.0 108.642 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG2' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -52.13 160.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.565 173.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -159.72 133.38 7.19 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.402 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 41.2 p -88.68 68.97 8.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.983 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 81.69 -31.4 0.1 Allowed 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.157 -1.838 . . . . 0.0 111.769 173.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 162.04 -49.25 0.0 OUTLIER 'General case' 0 C--N 1.357 0.901 0 O-C-N 125.702 1.877 . . . . 0.0 111.078 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -38.31 -67.8 0.19 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.536 1.772 . . . . 0.0 112.643 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -110.56 152.8 25.99 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 125.336 1.647 . . . . 0.0 109.44 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.05 123.37 11.61 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 125.821 1.951 . . . . 0.0 108.74 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 46' ' ' GLN . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CZ ' HG22 ' A' ' 9' ' ' THR . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' CD2' HG12 ' A' ' 72' ' ' VAL . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.434 HG13 ' CE ' ' A' ' 19' ' ' MET . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.4 t -133.69 130.65 56.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 t -97.02 148.44 22.99 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.591 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.805 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.46 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 121.335 0.588 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.07 174.24 0.13 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.593 -1.64 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 m -95.19 177.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.606 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 m -107.55 91.44 3.65 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.084 -1.871 . . . . 0.0 108.553 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -52.87 162.19 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.424 0 O-C-N 124.171 0.92 . . . . 0.0 110.172 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp -159.82 122.95 3.55 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.9 p -61.05 -125.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.63 0.729 . . . . 0.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -91.97 38.89 1.0 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.942 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 86.67 -12.64 0.56 Allowed 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.093 1.496 . . . . 0.0 111.465 174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -76.57 -45.29 31.09 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.792 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -125.49 155.48 40.48 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.003 1.44 . . . . 0.0 109.126 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.24 131.23 18.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.083 2.115 . . . . 0.0 109.337 -177.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 7' ' ' LEU . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD22 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.07 147.09 23.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 p -115.92 115.53 26.35 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 113.01 -1.905 . . . . 0.0 108.745 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tttt . . . . . 0 CA--C 1.555 1.14 0 O-C-N 125.636 1.835 . . . . 0.0 110.352 178.209 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 71' ' ' PHE . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp . . . . . 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.587 HG21 HD12 ' A' ' 28' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' HG11 ' A' ' 27' ' ' VAL . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 59' ' ' VAL . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 17' ' ' ILE . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.755 ' CB ' HG12 ' A' ' 43' ' ' VAL . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 ' HG ' ' A' ' 28' ' ' LEU . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' HG11 ' A' ' 76' ' ' VAL . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.755 HG12 ' CB ' ' A' ' 29' ' ' LYS . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HA ' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 72' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 66' ' ' ILE . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE1' HG21 ' A' ' 59' ' ' VAL . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 46' ' ' GLN . 43.0 t . . . . . 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.843 ' O ' HD13 ' A' ' 7' ' ' LEU . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.093 HD12 HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 HD11 ' A' ' 28' ' ' LEU . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' MET . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.511 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 59' ' ' VAL . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 32' ' ' ILE . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HG ' ' A' ' 28' ' ' LEU . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.79 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.694 ' HD2' HG11 ' A' ' 76' ' ' VAL . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.678 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.692 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.762 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.68 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.646 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.681 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.093 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG11 ' HD2' ' A' ' 42' ' ' PRO . 7.2 t . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.3 ttpt . . . . . 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 31' ' ' LYS . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.548 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' OE2' ' A' ' 23' ' ' GLU . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 32' ' ' ILE . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.626 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 28' ' ' LEU . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 46' ' ' GLN . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 29' ' ' LYS . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.739 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 48' ' ' LEU . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.496 HG12 HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 59' ' ' VAL . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.626 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.552 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.657 HD11 HD13 ' A' ' 55' ' ' LEU . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 6' ' ' THR . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' HD1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' GLN . 29.3 t . . . . . 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.74 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 71' ' ' PHE . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp . . . . . 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.566 HG13 HD11 ' A' ' 28' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD1' ' A' ' 61' ' ' ILE . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 7' ' ' LEU . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.668 ' HB3' HG12 ' A' ' 43' ' ' VAL . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.536 ' HB ' HE22 ' A' ' 46' ' ' GLN . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.678 ' HD2' HG11 ' A' ' 76' ' ' VAL . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 29' ' ' LYS . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.672 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.961 HD23 HG11 ' A' ' 72' ' ' VAL . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 59' ' ' VAL . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' VAL . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 55' ' ' LEU . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CB ' HG22 ' A' ' 6' ' ' THR . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.961 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.678 HG11 ' HD2' ' A' ' 42' ' ' PRO . 39.8 t . . . . . 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.501 HD11 HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 71' ' ' PHE . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.5 ttpp . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.436 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 32' ' ' ILE . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.619 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.726 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 76' ' ' VAL . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.619 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' VAL . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 HG11 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.709 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.694 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 59' ' ' VAL . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.594 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 55' ' ' LEU . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.653 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.746 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 46' ' ' GLN . 56.8 t . . . . . 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.448 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.788 ' O ' HD13 ' A' ' 7' ' ' LEU . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.046 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.535 ' CD ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.535 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 28' ' ' LEU . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG3' HG11 ' A' ' 27' ' ' VAL . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HG ' HD12 ' A' ' 32' ' ' ILE . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' C ' HG12 ' A' ' 43' ' ' VAL . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.73 HD12 ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HD2' HG11 ' A' ' 76' ' ' VAL . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.609 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.682 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.556 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.046 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.689 HG11 ' HD2' ' A' ' 42' ' ' PRO . 2.4 t . . . . . 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.865 HD23 HG12 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp . . . . . 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.543 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.697 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HG ' HD12 ' A' ' 32' ' ' ILE . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.713 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.618 HD12 ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HD2' HG11 ' A' ' 76' ' ' VAL . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' A' ' 29' ' ' LYS . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.702 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.733 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 48' ' ' LEU . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.77 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.697 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.653 HD11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.865 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.6 t . . . . . 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.184 -2.365 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.859 ' O ' HD13 ' A' ' 7' ' ' LEU . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.039 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 17' ' ' ILE . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.597 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD12 ' A' ' 32' ' ' ILE . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' C ' HG12 ' A' ' 43' ' ' VAL . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' HG ' ' A' ' 28' ' ' LEU . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' HD2' HG11 ' A' ' 76' ' ' VAL . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.631 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.682 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.637 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' H ' ' HZ1' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' THR . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.039 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.1 t . . . . . 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.693 HG22 ' HB2' ' A' ' 71' ' ' PHE . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' CD ' HG23 ' A' ' 14' ' ' THR . 4.7 tttp . . . . . 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 31' ' ' LYS . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.55 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HG3' HG11 ' A' ' 27' ' ' VAL . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.704 HD12 ' HG ' ' A' ' 28' ' ' LEU . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' HG11 ' A' ' 76' ' ' VAL . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.631 HG12 ' C ' ' A' ' 29' ' ' LYS . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.713 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.851 HD23 HG11 ' A' ' 72' ' ' VAL . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.551 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.673 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.851 HG11 HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.646 ' HG2' HD11 ' A' ' 49' ' ' ILE . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' GLN . 60.4 t . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 71' ' ' PHE . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 6' ' ' THR . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 17' ' ' ILE . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.511 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 32' ' ' ILE . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 27' ' ' VAL . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 48' ' ' LEU . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.738 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 46' ' ' GLN . 40.4 t . . . . . 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.202 -1.424 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.769 ' O ' HD13 ' A' ' 7' ' ' LEU . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.984 HD12 HG12 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp . . . . . 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 121.416 0.627 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.534 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' HG3' ' A' ' 23' ' ' GLU . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.626 ' C ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.688 HD12 ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD2' HG11 ' A' ' 76' ' ' VAL . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.74 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.805 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.556 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.984 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.9 t . . . . . 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.964 0.888 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.764 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -72.41 170.66 13.79 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.092 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.6 -162.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.319 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 44.7 m -131.94 95.72 3.76 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 125.131 1.52 . . . . 0.0 110.125 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.62 166.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 118.802 -1.159 . . . . 0.0 109.935 175.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 71' ' ' PHE . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp -164.28 120.08 1.55 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.584 ' O ' HG13 ' A' ' 73' ' ' VAL . 81.5 p -62.08 -127.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.405 0.621 . . . . 0.0 112.382 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 36.25 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.588 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 91.14 -22.19 0.1 Allowed 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.432 1.708 . . . . 0.0 111.127 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.794 1.309 . . . . 0.0 112.169 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -128.66 140.13 51.91 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.018 1.449 . . . . 0.0 108.614 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.94 120.72 11.91 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.966 2.041 . . . . 0.0 108.808 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.587 HG21 HD12 ' A' ' 28' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.764 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' HG11 ' A' ' 27' ' ' VAL . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 59' ' ' VAL . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 17' ' ' ILE . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.755 ' CB ' HG12 ' A' ' 43' ' ' VAL . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 ' HG ' ' A' ' 28' ' ' LEU . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' HG11 ' A' ' 76' ' ' VAL . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.755 HG12 ' CB ' ' A' ' 29' ' ' LYS . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HA ' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 72' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 66' ' ' ILE . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE1' HG21 ' A' ' 59' ' ' VAL . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 9' ' ' THR . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 46' ' ' GLN . 43.0 t -135.63 129.01 48.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 t -44.18 129.58 6.2 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.456 1.723 . . . . 0.0 111.578 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.6 tptp . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.028 -177.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 12.6 mmm . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 121.353 0.597 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 80.72 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.875 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.094 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 4' ' ' THR . 3.0 m -131.4 -159.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 114.05 -1.432 . . . . 0.0 107.749 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 5' ' ' ILE . 1.1 m -123.94 173.93 7.9 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 123.016 1.388 . . . . 0.0 110.931 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -151.42 163.27 2.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.374 -176.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.843 ' O ' HD13 ' A' ' 7' ' ' LEU . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.093 HD12 HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -133.96 141.98 47.5 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.624 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 40.7 p -95.5 -7.55 37.75 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.676 1.86 . . . . 0.0 113.665 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.144 HD21 HG13 ' A' ' 73' ' ' VAL . 1.2 mt 86.31 -29.72 0.06 Allowed 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.173 1.546 . . . . 0.0 111.287 173.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.46 -8.5 59.57 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 113.084 -1.871 . . . . 0.0 112.006 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 124.1 -18.28 0.01 OUTLIER 'General case' 0 C--N 1.369 1.428 0 O-C-N 126.038 2.086 . . . . 0.0 112.559 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -79.7 90.48 5.2 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.224 0.952 . . . . 0.0 110.075 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -103.92 113.53 27.13 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.115 -1.857 . . . . 0.0 108.62 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 HD11 ' A' ' 28' ' ' LEU . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' MET . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 3' ' ' VAL . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD3' ' CG2' ' A' ' 3' ' ' VAL . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 59' ' ' VAL . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 32' ' ' ILE . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HG ' ' A' ' 28' ' ' LEU . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.79 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.694 ' HD2' HG11 ' A' ' 76' ' ' VAL . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.678 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.692 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.762 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.68 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.646 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.681 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.093 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.144 HG13 HD21 ' A' ' 10' ' ' LEU . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG11 ' HD2' ' A' ' 42' ' ' PRO . 7.2 t -141.52 153.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.38 112.56 24.51 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.152 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.339 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 121.643 0.735 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.23 171.61 14.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.006 -1.907 . . . . 0.0 109.524 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.636 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.7 m -72.82 -161.67 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.745 -1.571 . . . . 0.0 109.283 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.502 ' N ' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -114.61 172.17 7.19 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 123.148 1.452 . . . . 0.0 110.559 176.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -144.18 163.56 14.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.37 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.3 ttpt -160.77 129.66 4.73 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 20.6 p -86.08 72.45 10.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.7 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD12 HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 76.85 -30.67 0.18 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.385 1.678 . . . . 0.0 112.483 176.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 161.49 -51.66 0.0 OUTLIER 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.084 1.49 . . . . 0.0 110.527 -174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -34.95 -69.58 0.1 Allowed 'General case' 0 C--N 1.356 0.875 0 O-C-N 125.864 1.977 . . . . 0.0 112.174 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.95 149.7 30.29 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.756 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -140.93 116.86 10.44 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 126.024 2.078 . . . . 0.0 108.439 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 31' ' ' LYS . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.548 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HD3' HG22 ' A' ' 3' ' ' VAL . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' OE2' ' A' ' 23' ' ' GLU . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 32' ' ' ILE . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.626 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 28' ' ' LEU . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 46' ' ' GLN . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 29' ' ' LYS . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.739 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 48' ' ' LEU . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.496 HG12 HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 59' ' ' VAL . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.626 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.552 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.657 HD11 HD13 ' A' ' 55' ' ' LEU . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 6' ' ' THR . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' HD1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 HD12 ' A' ' 10' ' ' LEU . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' GLN . 29.3 t -140.39 150.48 21.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.54 96.7 8.13 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.061 -1.881 . . . . 0.0 109.155 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.557 1.217 0 O-C-N 124.791 1.307 . . . . 0.0 111.339 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.083 0.468 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 58.84 174.16 0.07 Allowed 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.203 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' A' ' 21' ' ' PRO . 4.2 m -97.62 -164.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.324 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.9 m -130.34 97.29 4.37 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.448 1.717 . . . . 0.0 109.851 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -59.7 158.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 124.282 0.989 . . . . 0.0 109.178 174.351 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 71' ' ' PHE . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp -163.58 122.96 2.07 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.531 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 59.1 p -62.18 -127.44 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.773 0.796 . . . . 0.0 112.171 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.17 35.73 0.86 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.249 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 88.53 -18.77 0.23 Allowed 'General case' 0 C--N 1.359 0.986 0 O-C-N 125.161 1.538 . . . . 0.0 111.758 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.81 -46.98 67.24 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.541 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -124.86 144.37 50.35 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 114.02 -1.445 . . . . 0.0 109.201 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.06 139.08 41.06 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.17 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG13 HD11 ' A' ' 28' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.684 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD1' ' A' ' 61' ' ' ILE . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 7' ' ' LEU . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.668 ' HB3' HG12 ' A' ' 43' ' ' VAL . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.536 ' HB ' HE22 ' A' ' 46' ' ' GLN . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.678 ' HD2' HG11 ' A' ' 76' ' ' VAL . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 29' ' ' LYS . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.672 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.961 HD23 HG11 ' A' ' 72' ' ' VAL . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 59' ' ' VAL . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' VAL . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 55' ' ' LEU . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CB ' HG22 ' A' ' 6' ' ' THR . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.961 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 9' ' ' THR . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.678 HG11 ' HD2' ' A' ' 42' ' ' PRO . 39.8 t -142.37 138.31 29.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m 70.02 128.17 0.03 OUTLIER 'General case' 0 C--N 1.359 1.007 0 O-C-N 125.7 1.875 . . . . 0.0 108.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 tptm . . . . . 0 CA--C 1.558 1.268 0 O-C-N 124.574 1.171 . . . . 0.0 111.535 -179.414 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 121.929 0.871 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 169.99 16.8 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.582 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.605 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.5 m -82.05 -159.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.127 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 5' ' ' ILE . 2.7 m -118.99 174.54 6.25 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.558 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -144.54 159.47 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 71' ' ' PHE . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 11' ' ' GLN . 4.5 ttpp -157.04 129.03 7.21 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 48.1 p -86.38 72.53 10.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.47 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 78.25 -40.52 0.29 Allowed 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.463 1.727 . . . . 0.0 112.036 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 3.8 pt20 168.49 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 O-C-N 124.849 1.343 . . . . 0.0 111.763 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -42.04 -62.11 1.0 Allowed 'General case' 0 C--N 1.355 0.84 0 O-C-N 125.344 1.652 . . . . 0.0 112.543 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.71 155.93 25.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.09 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -151.58 124.15 8.41 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 125.566 1.791 . . . . 0.0 108.673 -179.323 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HD3' HG22 ' A' ' 3' ' ' VAL . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 32' ' ' ILE . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.619 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.726 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 9' ' ' THR . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 76' ' ' VAL . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.619 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' VAL . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 HG11 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.709 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.694 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 59' ' ' VAL . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.594 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 55' ' ' LEU . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.653 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.746 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 ' H ' ' A' ' 10' ' ' LEU . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 9' ' ' THR . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 46' ' ' GLN . 56.8 t -135.98 133.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 m -125.94 121.88 34.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.389 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.986 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.997 0.427 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.71 174.64 0.07 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.788 0.804 . . . . 0.0 111.113 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.639 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.4 m -94.33 -161.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.599 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.501 ' N ' HG23 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -115.74 171.55 7.68 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.396 176.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.448 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -145.1 164.77 12.26 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 -179.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.788 ' O ' HD13 ' A' ' 7' ' ' LEU . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.046 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.535 ' CD ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -132.84 174.13 10.65 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 9.3 p -114.92 4.67 14.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.728 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.961 HD22 HG12 ' A' ' 73' ' ' VAL . 0.1 OUTLIER 86.88 -32.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.47 1.731 . . . . 0.0 109.496 175.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.19 -26.43 19.05 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.1 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 159.37 -43.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.492 0 O-C-N 125.291 1.619 . . . . 0.0 113.091 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 13.9 mt-30 -58.1 125.17 22.03 Favored 'General case' 0 C--O 1.212 -0.897 0 O-C-N 123.957 0.785 . . . . 0.0 110.798 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.535 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -128.42 117.69 21.82 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 125.423 1.702 . . . . 0.0 109.205 -176.511 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 28' ' ' LEU . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.639 ' HD3' HG22 ' A' ' 3' ' ' VAL . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG3' HG11 ' A' ' 27' ' ' VAL . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HG ' HD12 ' A' ' 32' ' ' ILE . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' C ' HG12 ' A' ' 43' ' ' VAL . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.73 HD12 ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HD2' HG11 ' A' ' 76' ' ' VAL . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.609 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.682 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.046 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.961 HG12 HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.689 HG11 ' HD2' ' A' ' 42' ' ' PRO . 2.4 t -141.44 149.78 20.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.7 p -81.85 130.27 35.01 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.508 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.203 0 CA-C-N 113.647 -1.615 . . . . 0.0 113.068 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.465 0.65 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -97.2 171.52 8.39 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.54 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.534 HG22 ' HD3' ' A' ' 21' ' ' PRO . 3.3 m -91.27 -170.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 113.88 -1.509 . . . . 0.0 109.617 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.75 170.05 8.17 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.109 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -142.41 116.52 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.168 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.865 HD23 HG12 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp -163.12 125.01 2.53 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 73' ' ' VAL . 69.6 p -62.09 -127.26 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.701 0.762 . . . . 0.0 111.697 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.69 36.22 0.9 Allowed 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.343 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 89.73 -22.48 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.616 1.823 . . . . 0.0 111.369 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -70.22 -37.22 74.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 125.054 1.471 . . . . 0.0 111.157 -176.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -130.48 150.19 51.81 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.961 1.413 . . . . 0.0 109.715 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.33 126.72 20.04 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.907 2.004 . . . . 0.0 109.056 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.543 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 3' ' ' VAL . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.697 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HG ' HD12 ' A' ' 32' ' ' ILE . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.713 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.618 HD12 ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HD2' HG11 ' A' ' 76' ' ' VAL . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' A' ' 29' ' ' LYS . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.702 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.733 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 48' ' ' LEU . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.77 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.697 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.653 HD11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.865 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' THR . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.6 t -143.39 116.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.74 108.53 8.65 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.917 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.763 0 O-C-N 125.486 1.741 . . . . 0.0 109.964 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.832 0.825 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.47 170.59 8.3 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.687 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.461 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.9 m -75.34 -165.1 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 113.835 -1.53 . . . . 0.0 109.753 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 171.83 7.45 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.192 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -144.79 163.42 13.46 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 CA-C-N 112.612 -2.085 . . . . 0.0 106.028 -178.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.859 ' O ' HD13 ' A' ' 7' ' ' LEU . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.039 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -139.97 142.49 36.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 18.7 p -95.54 1.55 53.91 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 125.286 1.616 . . . . 0.0 112.867 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.069 HD21 HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER 85.24 -34.96 0.05 OUTLIER 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.882 1.364 . . . . 0.0 110.898 171.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -79.95 -27.71 39.76 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.785 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 157.51 -37.22 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 0 O-C-N 125.175 1.547 . . . . 0.0 113.347 -176.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.99 95.12 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.03 0.831 . . . . 0.0 111.594 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.66 112.68 23.26 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.424 -1.716 . . . . 0.0 107.839 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 17' ' ' ILE . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.597 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 3' ' ' VAL . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD12 ' A' ' 32' ' ' ILE . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' C ' HG12 ' A' ' 43' ' ' VAL . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' HG ' ' A' ' 28' ' ' LEU . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' HD2' HG11 ' A' ' 76' ' ' VAL . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.631 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.682 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.637 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' H ' ' HZ1' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' THR . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.039 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.069 HG13 HD21 ' A' ' 10' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.1 t -141.05 142.96 28.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 p -64.51 119.38 10.33 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 113.116 -1.856 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.464 0.65 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -131.91 171.45 13.54 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.623 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -88.75 172.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.453 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.8 m -109.09 89.64 3.05 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.268 -1.787 . . . . 0.0 109.043 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -51.28 160.58 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.647 173.224 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.693 HG22 ' HB2' ' A' ' 71' ' ' PHE . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 11' ' ' GLN . 4.7 tttp -158.91 131.22 6.75 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 44.9 p -87.77 70.39 9.61 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.104 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER 82.62 -36.31 0.09 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.933 -1.94 . . . . 0.0 110.867 174.456 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 162.29 -46.82 0.0 OUTLIER 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.345 1.653 . . . . 0.0 112.067 -173.447 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -40.24 -66.59 0.3 Allowed 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.568 1.793 . . . . 0.0 112.365 -175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.76 151.92 29.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 113.758 -1.565 . . . . 0.0 108.957 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -143.65 121.29 11.83 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.706 1.879 . . . . 0.0 108.67 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 31' ' ' LYS . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.55 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HG3' HG11 ' A' ' 27' ' ' VAL . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.704 HD12 ' HG ' ' A' ' 28' ' ' LEU . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 9' ' ' THR . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' HG11 ' A' ' 76' ' ' VAL . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.631 HG12 ' C ' ' A' ' 29' ' ' LYS . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.713 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.851 HD23 HG11 ' A' ' 72' ' ' VAL . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.551 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.673 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.851 HG11 HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 10' ' ' LEU . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.646 ' HG2' HD11 ' A' ' 49' ' ' ILE . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' GLN . 60.4 t -139.04 142.95 32.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.2 t -90.95 144.8 25.3 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.413 -1.722 . . . . 0.0 110.141 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.822 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.318 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 57.09 -177.11 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.014 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 m -105.11 173.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.491 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 m -107.54 91.2 3.56 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 112.969 -1.923 . . . . 0.0 108.642 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -52.13 160.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.565 173.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 71' ' ' PHE . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 11' ' ' GLN . 4.0 ttpt -159.72 133.38 7.19 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.681 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 41.2 p -88.68 68.97 8.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.983 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER 81.69 -31.4 0.1 Allowed 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.157 -1.838 . . . . 0.0 111.769 173.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 13.0 tt0 162.04 -49.25 0.0 OUTLIER 'General case' 0 C--N 1.357 0.901 0 O-C-N 125.702 1.877 . . . . 0.0 111.078 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -38.31 -67.8 0.19 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.536 1.772 . . . . 0.0 112.643 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -110.56 152.8 25.99 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 125.336 1.647 . . . . 0.0 109.44 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.05 123.37 11.61 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 125.821 1.951 . . . . 0.0 108.74 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 6' ' ' THR . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 17' ' ' ILE . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.615 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 32' ' ' ILE . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 27' ' ' VAL . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 48' ' ' LEU . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.738 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 10' ' ' LEU . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 46' ' ' GLN . 40.4 t -133.69 130.65 56.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 t -97.02 148.44 22.99 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.591 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.805 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.46 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 121.335 0.588 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 62.07 174.24 0.13 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.593 -1.64 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 m -95.19 177.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.606 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 m -107.55 91.44 3.65 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.084 -1.871 . . . . 0.0 108.553 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -52.87 162.19 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.424 0 O-C-N 124.171 0.92 . . . . 0.0 110.172 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.769 ' O ' HD13 ' A' ' 7' ' ' LEU . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.984 HD12 HG12 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp -159.82 122.95 3.55 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.603 ' O ' HG13 ' A' ' 73' ' ' VAL . 60.9 p -61.05 -125.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.63 0.729 . . . . 0.0 112.335 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -91.97 38.89 1.0 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.942 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 86.67 -12.64 0.56 Allowed 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.093 1.496 . . . . 0.0 111.465 174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -76.57 -45.29 31.09 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.792 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -125.49 155.48 40.48 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.003 1.44 . . . . 0.0 109.126 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -146.24 131.23 18.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.083 2.115 . . . . 0.0 109.337 -177.54 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.601 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' HG3' ' A' ' 23' ' ' GLU . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.626 ' C ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.688 HD12 ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD2' HG11 ' A' ' 76' ' ' VAL . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.74 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.805 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.556 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.984 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 9' ' ' THR . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.9 t -140.07 147.09 23.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 p -115.92 115.53 26.35 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 113.01 -1.905 . . . . 0.0 108.745 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tttt . . . . . 0 CA--C 1.555 1.14 0 O-C-N 125.636 1.835 . . . . 0.0 110.352 178.209 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 71' ' ' PHE . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp . . . . . 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.587 HG21 HD12 ' A' ' 28' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' HG11 ' A' ' 27' ' ' VAL . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 59' ' ' VAL . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 17' ' ' ILE . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.755 ' CB ' HG12 ' A' ' 43' ' ' VAL . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 ' HG ' ' A' ' 28' ' ' LEU . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' HG11 ' A' ' 76' ' ' VAL . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.755 HG12 ' CB ' ' A' ' 29' ' ' LYS . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.2 mm-40 -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 72' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 66' ' ' ILE . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE1' HG21 ' A' ' 59' ' ' VAL . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 46' ' ' GLN . 43.0 t . . . . . 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.809 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.843 ' O ' HD13 ' A' ' 7' ' ' LEU . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.093 HD12 HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 HD11 ' A' ' 28' ' ' LEU . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' MET . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.511 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 59' ' ' VAL . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 32' ' ' ILE . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HG ' ' A' ' 28' ' ' LEU . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.79 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.694 ' HD2' HG11 ' A' ' 76' ' ' VAL . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.678 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.692 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.762 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.68 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.646 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.681 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.093 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG11 ' HD2' ' A' ' 42' ' ' PRO . 7.2 t . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.434 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.3 ttpt . . . . . 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 31' ' ' LYS . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.548 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' OE2' ' A' ' 23' ' ' GLU . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 32' ' ' ILE . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.626 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 28' ' ' LEU . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 46' ' ' GLN . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 29' ' ' LYS . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.739 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 48' ' ' LEU . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.496 HG12 HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 59' ' ' VAL . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.626 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.552 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.657 HD11 HD13 ' A' ' 55' ' ' LEU . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 6' ' ' THR . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' HD1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' GLN . 29.3 t . . . . . 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.215 -0.74 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 71' ' ' PHE . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp . . . . . 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.566 HG13 HD11 ' A' ' 28' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD1' ' A' ' 61' ' ' ILE . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 7' ' ' LEU . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.668 ' HB3' HG12 ' A' ' 43' ' ' VAL . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.536 ' HB ' HE22 ' A' ' 46' ' ' GLN . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.678 ' HD2' HG11 ' A' ' 76' ' ' VAL . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 29' ' ' LYS . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.672 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.961 HD23 HG11 ' A' ' 72' ' ' VAL . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 59' ' ' VAL . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' VAL . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 55' ' ' LEU . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CB ' HG22 ' A' ' 6' ' ' THR . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.961 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.678 HG11 ' HD2' ' A' ' 42' ' ' PRO . 39.8 t . . . . . 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.501 HD11 HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 71' ' ' PHE . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.5 ttpp . . . . . 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.436 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 32' ' ' ILE . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.619 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.726 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 76' ' ' VAL . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.619 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' VAL . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 HG11 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.709 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.694 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 59' ' ' VAL . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.594 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 55' ' ' LEU . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.653 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.746 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 46' ' ' GLN . 56.8 t . . . . . 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.448 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.788 ' O ' HD13 ' A' ' 7' ' ' LEU . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.046 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.535 ' CD ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.535 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 28' ' ' LEU . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG3' HG11 ' A' ' 27' ' ' VAL . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HG ' HD12 ' A' ' 32' ' ' ILE . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' C ' HG12 ' A' ' 43' ' ' VAL . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.73 HD12 ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HD2' HG11 ' A' ' 76' ' ' VAL . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.609 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.682 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.556 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.046 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.689 HG11 ' HD2' ' A' ' 42' ' ' PRO . 2.4 t . . . . . 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.865 HD23 HG12 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp . . . . . 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.182 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.543 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.697 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HG ' HD12 ' A' ' 32' ' ' ILE . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.713 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.618 HD12 ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HD2' HG11 ' A' ' 76' ' ' VAL . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' A' ' 29' ' ' LYS . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.702 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.733 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 48' ' ' LEU . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.77 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.697 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.653 HD11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.865 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.6 t . . . . . 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.184 -2.365 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.859 ' O ' HD13 ' A' ' 7' ' ' LEU . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.039 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 17' ' ' ILE . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.597 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD12 ' A' ' 32' ' ' ILE . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' C ' HG12 ' A' ' 43' ' ' VAL . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' HG ' ' A' ' 28' ' ' LEU . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' HD2' HG11 ' A' ' 76' ' ' VAL . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.631 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.682 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.637 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' H ' ' HZ1' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' THR . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.039 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.1 t . . . . . 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.213 -0.823 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.693 HG22 ' HB2' ' A' ' 71' ' ' PHE . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' CD ' HG23 ' A' ' 14' ' ' THR . 4.7 tttp . . . . . 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 31' ' ' LYS . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.55 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HG3' HG11 ' A' ' 27' ' ' VAL . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.704 HD12 ' HG ' ' A' ' 28' ' ' LEU . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' HG11 ' A' ' 76' ' ' VAL . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.631 HG12 ' C ' ' A' ' 29' ' ' LYS . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.713 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.851 HD23 HG11 ' A' ' 72' ' ' VAL . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.551 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.673 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.1 t30 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.851 HG11 HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.646 ' HG2' HD11 ' A' ' 49' ' ' ILE . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' GLN . 60.4 t . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.702 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 71' ' ' PHE . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 6' ' ' THR . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 17' ' ' ILE . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.511 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 32' ' ' ILE . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 27' ' ' VAL . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 36' ' ' LYS . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 48' ' ' LEU . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.738 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 46' ' ' GLN . 40.4 t . . . . . 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.202 -1.424 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.769 ' O ' HD13 ' A' ' 7' ' ' LEU . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.984 HD12 HG12 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp . . . . . 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 121.416 0.627 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.534 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' HG3' ' A' ' 23' ' ' GLU . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.626 ' C ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.688 HD12 ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD2' HG11 ' A' ' 76' ' ' VAL . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.74 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.805 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.556 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.984 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.9 t . . . . . 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.964 0.888 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.764 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -72.41 170.66 13.79 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.092 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.6 -162.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 113.913 -1.494 . . . . 0.0 108.319 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 18' ' ' ARG . 44.7 m -131.94 95.72 3.76 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 125.131 1.52 . . . . 0.0 110.125 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.62 166.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 118.802 -1.159 . . . . 0.0 109.935 175.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 71' ' ' PHE . 97.8 m -139.71 120.71 14.6 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.586 1.804 . . . . 0.0 107.493 173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -113.68 171.38 7.61 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.813 0.816 . . . . 0.0 109.14 178.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.5 tttp -164.28 120.08 1.55 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.791 -2.004 . . . . 0.0 108.913 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.584 ' O ' HG13 ' A' ' 73' ' ' VAL . 81.5 p -62.08 -127.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.405 0.621 . . . . 0.0 112.382 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 36.25 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.588 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 91.14 -22.19 0.1 Allowed 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.432 1.708 . . . . 0.0 111.127 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.794 1.309 . . . . 0.0 112.169 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -128.66 140.13 51.91 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.018 1.449 . . . . 0.0 108.614 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.94 120.72 11.91 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.966 2.041 . . . . 0.0 108.808 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -143.32 -166.43 2.32 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.828 -1.533 . . . . 0.0 108.579 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 5.8 pttt -152.42 155.85 38.36 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.479 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.587 HG21 HD12 ' A' ' 28' ' ' LEU . 3.6 mm -143.49 109.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 112.998 -1.91 . . . . 0.0 107.198 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 ttp-105 -24.47 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 O-C-N 125.198 1.561 . . . . 0.0 113.354 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.764 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 1.5 ppp? 38.28 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 O-C-N 126.612 2.445 . . . . 0.0 112.634 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 5.4 tt0 -156.3 155.53 29.06 Favored Pre-proline 0 C--N 1.349 0.58 0 C-N-CA 117.788 -1.565 . . . . 0.0 109.227 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 13.9 Cg_exo -66.0 -3.67 8.8 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.065 1.177 . . . . 0.0 113.855 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 -43.93 11.24 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.383 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' HG11 ' A' ' 27' ' ' VAL . 7.6 mm-40 -51.96 160.29 0.74 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 125.361 1.663 . . . . 0.0 111.497 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -87.1 24.35 1.57 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 112.809 -1.996 . . . . 0.0 111.864 -176.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 59' ' ' VAL . 26.0 t 78.5 -32.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.103 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 39.5 tttm -56.62 -40.21 74.96 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.618 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -59.37 -35.43 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 125.537 1.773 . . . . 0.0 111.38 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 17' ' ' ILE . 46.4 tp -65.67 -38.99 90.84 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 112.414 -2.175 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.755 ' CB ' HG12 ' A' ' 43' ' ' VAL . 72.6 mttt -58.12 -39.8 79.61 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 112.546 -2.116 . . . . 0.0 109.347 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.86 -39.98 95.47 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.547 1.154 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 -54.9 11.28 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.173 1.546 . . . . 0.0 112.045 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 ' HG ' ' A' ' 28' ' ' LEU . 78.5 mt -57.18 -39.01 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 124.812 1.32 . . . . 0.0 111.397 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.07 -31.28 70.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.481 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.42 62.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.678 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.53 -46.91 44.88 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.897 1.373 . . . . 0.0 109.683 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.54 -65.35 0.97 Allowed 'General case' 0 C--N 1.347 0.484 0 O-C-N 125.247 1.592 . . . . 0.0 110.832 -174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.69 176.77 19.89 Favored Glycine 0 C--N 1.346 1.124 0 O-C-N 125.4 1.688 . . . . 0.0 109.887 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -73.16 -7.04 49.64 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.887 -1.657 . . . . 0.0 111.364 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -35.45 12.53 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.253 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.32 -60.26 2.34 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 125.038 1.461 . . . . 0.0 109.595 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.2 m-85 -134.17 77.38 61.27 Favored Pre-proline 0 C--N 1.352 0.675 0 O-C-N 125.543 1.777 . . . . 0.0 108.034 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' HG11 ' A' ' 76' ' ' VAL . 26.6 Cg_endo -68.36 123.54 10.66 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.35 1.366 . . . . 0.0 109.685 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.755 HG12 ' CB ' ' A' ' 29' ' ' LYS . 12.1 m -38.74 -32.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 O-C-N 125.594 1.809 . . . . 0.0 114.592 177.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.94 0.99 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.578 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -95.98 13.9 65.4 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 124.951 1.407 . . . . 0.0 113.094 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.2 mm-40 -71.34 83.0 0.77 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.408 0.711 . . . . 0.0 110.374 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -92.82 150.0 20.91 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.237 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 72' ' ' VAL . 4.8 mp -127.49 152.59 47.38 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.878 -1.964 . . . . 0.0 108.678 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.748 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -130.05 109.82 18.31 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 O-C-N 124.146 0.904 . . . . 0.0 112.744 -175.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 66' ' ' ILE . 12.8 t80 -117.63 116.75 27.69 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.133 0.895 . . . . 0.0 109.212 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.34 31.61 4.99 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 125.583 1.802 . . . . 0.0 111.272 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -11.99 53.67 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.475 -177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 7.7 mttp -89.65 166.65 13.48 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 124.476 0.75 . . . . 0.0 108.982 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -108.57 156.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 125.178 1.549 . . . . 0.0 108.735 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -144.61 131.71 20.49 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.918 2.011 . . . . 0.0 108.511 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 t -105.02 174.17 5.99 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 4.4 p-10 -64.55 -13.63 53.65 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 113.381 -1.736 . . . . 0.0 113.997 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -99.05 -11.32 21.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 118.586 -1.245 . . . . 0.0 111.019 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.68 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -88.67 153.4 50.09 Favored Pre-proline 0 C--O 1.212 -0.876 0 O-C-N 124.475 1.109 . . . . 0.0 108.532 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.63 139.9 16.32 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.074 1.85 . . . . 0.0 111.758 177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -61.65 -29.87 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.059 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.93 68.05 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.441 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.71 -29.12 67.9 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.838 1.336 . . . . 0.0 110.904 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE1' HG21 ' A' ' 59' ' ' VAL . 63.1 m-85 -108.62 17.82 21.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 124.999 1.437 . . . . 0.0 110.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.75 34.94 0.45 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -73.81 87.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.73 1.269 . . . . 0.0 109.682 -173.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -96.96 164.57 12.48 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 112.308 -2.223 . . . . 0.0 106.953 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.15 -51.88 60.55 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 125.881 1.988 . . . . 0.0 112.537 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -26.24 13.08 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 125.31 1.631 . . . . 0.0 112.211 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -105.72 163.74 12.47 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.687 1.867 . . . . 0.0 108.958 175.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.32 142.46 39.75 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.38 173.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -100.82 160.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.844 176.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 9' ' ' THR . 88.5 t -99.09 120.01 47.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 C-N-CA 118.591 -1.244 . . . . 0.0 111.462 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.2 p -85.07 88.89 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 124.186 0.929 . . . . 0.0 110.459 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.8 ttt -93.07 138.2 31.73 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.37 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 46' ' ' GLN . 43.0 t -135.63 129.01 48.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.375 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 t -44.18 129.58 6.2 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 125.456 1.723 . . . . 0.0 111.578 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.6 tptp . . . . . 0 CA--C 1.544 0.724 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.028 -177.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 12.6 mmm . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 121.353 0.597 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 80.72 -160.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.875 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.094 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 4' ' ' THR . 3.0 m -131.4 -159.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 114.05 -1.432 . . . . 0.0 107.749 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 5' ' ' ILE . 1.1 m -123.94 173.93 7.9 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 123.016 1.388 . . . . 0.0 110.931 175.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -151.42 163.27 2.72 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.374 -176.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.843 ' O ' HD13 ' A' ' 7' ' ' LEU . 34.0 m -150.23 129.02 12.42 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.819 1.325 . . . . 0.0 107.967 174.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.093 HD12 HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -132.56 166.37 22.25 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 124.144 0.903 . . . . 0.0 110.342 178.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -133.96 141.98 47.5 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.648 -1.615 . . . . 0.0 108.996 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.624 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 40.7 p -95.5 -7.55 37.75 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.676 1.86 . . . . 0.0 113.665 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.144 HD21 HG13 ' A' ' 73' ' ' VAL . 1.2 mt 86.31 -29.72 0.06 Allowed 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.173 1.546 . . . . 0.0 111.287 173.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.46 -8.5 59.57 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 113.084 -1.871 . . . . 0.0 112.006 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 124.1 -18.28 0.01 OUTLIER 'General case' 0 C--N 1.369 1.428 0 O-C-N 126.038 2.086 . . . . 0.0 112.559 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -79.7 90.48 5.2 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.224 0.952 . . . . 0.0 110.075 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -103.92 113.53 27.13 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.115 -1.857 . . . . 0.0 108.62 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -126.76 -163.34 1.23 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.261 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -161.88 160.18 27.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.441 -177.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 HD11 ' A' ' 28' ' ' LEU . 4.6 mm -140.54 152.28 21.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.88 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.467 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 19' ' ' MET . 14.9 ttm180 -62.06 -82.34 0.02 OUTLIER 'General case' 0 C--O 1.212 -0.87 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.375 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER 44.96 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.434 1.708 . . . . 0.0 114.148 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 3' ' ' VAL . 25.2 tt0 -145.51 155.18 53.36 Favored Pre-proline 0 C--N 1.357 0.926 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.484 177.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD3' ' CG2' ' A' ' 3' ' ' VAL . 8.0 Cg_exo -70.45 -1.27 8.77 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 121.309 1.339 . . . . 0.0 113.715 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -41.62 11.5 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.573 -0.851 . . . . 0.0 111.251 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.53 163.19 4.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.727 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.72 23.51 1.4 Allowed 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 113.56 -1.654 . . . . 0.0 112.368 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 59' ' ' VAL . 22.1 t 77.65 -27.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.237 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -51.67 -44.78 63.17 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-O 121.602 0.715 . . . . 0.0 112.56 178.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.22 -40.03 63.01 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.854 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 32' ' ' ILE . 41.1 tp -61.26 -40.22 93.27 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.313 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtt -57.48 -40.31 78.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 111.673 -2.512 . . . . 0.0 109.299 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -60.69 -39.5 88.7 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.822 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -71.44 -58.17 3.76 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 125.074 1.484 . . . . 0.0 112.859 -178.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HG ' ' A' ' 28' ' ' LEU . 43.7 mt -54.45 -39.9 46.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.445 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.45 -32.6 70.23 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.546 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -27.89 66.1 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.181 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.45 -47.78 38.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.393 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.79 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.45 -67.09 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.598 -1.637 . . . . 0.0 111.4 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.3 177.41 18.23 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 113.353 -1.749 . . . . 0.0 109.439 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -73.72 -8.32 55.53 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 112.82 -1.69 . . . . 0.0 111.988 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.72 -36.46 14.31 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.507 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.79 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.0 -62.75 1.54 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.59 -1.641 . . . . 0.0 109.357 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.5 m-85 -135.27 84.25 36.15 Favored Pre-proline 0 C--N 1.359 1.008 0 O-C-N 125.15 1.531 . . . . 0.0 108.371 -177.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.694 ' HD2' HG11 ' A' ' 76' ' ' VAL . 40.5 Cg_endo -72.38 125.85 11.1 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.223 1.282 . . . . 0.0 108.875 174.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 25.8 m -41.22 -30.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.118 0 O-C-N 125.208 1.568 . . . . 0.0 115.001 -179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.72 -61.86 2.08 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.132 -1.849 . . . . 0.0 111.679 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.678 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -97.66 15.57 61.73 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-N 113.963 -1.472 . . . . 0.0 113.395 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.692 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.2 mt-30 -75.99 79.04 2.85 Favored 'General case' 0 C--O 1.207 -1.18 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.996 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 11.4 mttm -83.58 149.28 26.67 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.138 178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.762 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -127.19 142.2 51.55 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 125.27 1.606 . . . . 0.0 108.515 -178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.762 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -122.73 114.0 40.54 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 O-C-N 123.715 0.634 . . . . 0.0 112.148 -175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.68 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.0 t80 -120.95 118.17 29.2 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.598 1.186 . . . . 0.0 108.666 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.59 32.5 7.15 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.967 1.417 . . . . 0.0 111.736 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.31 -9.21 55.67 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.193 -1.367 . . . . 0.0 113.715 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.99 166.74 12.86 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.646 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -116.44 151.91 18.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 O-C-N 124.901 1.376 . . . . 0.0 109.388 -178.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.631 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.54 138.15 28.94 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.525 1.766 . . . . 0.0 109.454 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 59' ' ' VAL . 6.3 t -108.74 173.77 6.17 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.142 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 19.7 p30 -62.13 -13.01 22.73 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.071 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -101.73 -7.51 22.54 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.008 -1.077 . . . . 0.0 112.19 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.04 153.32 41.8 Favored Pre-proline 0 C--N 1.355 0.839 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -77.27 136.57 16.13 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.203 1.935 . . . . 0.0 111.563 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -59.66 -33.65 52.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-O 121.902 0.858 . . . . 0.0 111.369 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -31.9 72.99 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 113.995 -1.457 . . . . 0.0 110.651 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.23 -28.74 66.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 114.108 -1.405 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 87.6 m-85 -110.0 17.79 20.72 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.044 -1.435 . . . . 0.0 111.598 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 34.7 56.5 0.72 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -86.06 101.75 10.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 114.559 -1.2 . . . . 0.0 109.53 -173.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -102.15 157.43 16.89 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.804 -1.998 . . . . 0.0 109.206 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -29.19 69.43 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.945 -1.934 . . . . 0.0 112.615 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.41 63.71 Favored 'General case' 0 C--N 1.361 1.097 0 CA-C-N 113.623 -1.626 . . . . 0.0 110.734 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.62 -155.29 0.56 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.125 177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.681 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -171.51 139.17 1.23 Allowed 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.943 -178.207 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.093 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -92.22 168.21 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 114.448 -1.251 . . . . 0.0 111.165 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.144 HG13 HD21 ' A' ' 10' ' ' LEU . 3.8 t -106.58 107.78 23.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.439 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -75.08 85.24 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.571 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.4 ttp -96.11 138.64 33.44 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.241 -1.345 . . . . 0.0 109.44 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG11 ' HD2' ' A' ' 42' ' ' PRO . 7.2 t -141.52 153.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.814 -1.539 . . . . 0.0 108.837 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.38 112.56 24.51 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.152 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.339 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.226 -0.183 0 CA-C-O 121.643 0.735 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.23 171.61 14.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.006 -1.907 . . . . 0.0 109.524 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.636 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.7 m -72.82 -161.67 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.745 -1.571 . . . . 0.0 109.283 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.502 ' N ' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -114.61 172.17 7.19 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 123.148 1.452 . . . . 0.0 110.559 176.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -144.18 163.56 14.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-N 113.103 -1.862 . . . . 0.0 106.37 -179.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 71' ' ' PHE . 85.1 m -139.81 121.4 15.22 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.79 172.98 7.01 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' HG23 ' A' ' 14' ' ' THR . 4.3 ttpt -160.77 129.66 4.73 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.653 -177.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 20.6 p -86.08 72.45 10.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.7 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD12 HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 76.85 -30.67 0.18 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.385 1.678 . . . . 0.0 112.483 176.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 161.49 -51.66 0.0 OUTLIER 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.084 1.49 . . . . 0.0 110.527 -174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -34.95 -69.58 0.1 Allowed 'General case' 0 C--N 1.356 0.875 0 O-C-N 125.864 1.977 . . . . 0.0 112.174 -174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.95 149.7 30.29 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.756 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -140.93 116.86 10.44 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 126.024 2.078 . . . . 0.0 108.439 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.7 p90 -133.11 -168.58 2.11 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.941 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.46 155.66 33.9 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.863 -1.971 . . . . 0.0 108.987 -176.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 31' ' ' LYS . 12.8 mm -136.48 156.62 36.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-N 113.749 -1.569 . . . . 0.0 109.668 -176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 17' ' ' ILE . 1.2 ttt180 -101.18 69.5 1.29 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.34 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.548 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -106.42 -173.32 2.27 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.291 179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.2 tt0 -117.42 137.87 24.51 Favored Pre-proline 0 C--N 1.36 1.029 0 O-C-N 124.994 1.434 . . . . 0.0 110.546 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' HD3' HG22 ' A' ' 3' ' ' VAL . 39.5 Cg_exo -62.87 -8.47 13.73 Favored 'Trans proline' 0 C--N 1.365 1.397 0 N-CA-C 115.786 1.418 . . . . 0.0 115.786 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.14 -24.8 18.12 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.69 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 1.2 pt-20 -64.92 167.17 8.05 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.486 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.29 24.14 3.06 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.204 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.0 t 76.06 -25.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 33.3 tttt -54.86 -45.14 74.52 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' OE2' ' A' ' 23' ' ' GLU . 1.2 t -55.43 -42.45 67.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.081 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 32' ' ' ILE . 47.0 tp -58.69 -39.23 80.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 124.145 0.903 . . . . 0.0 112.319 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.626 ' HZ2' ' HB3' ' A' ' 57' ' ' ASP . 6.3 mmtp -55.9 -40.25 72.76 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.64 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.77 -39.29 93.72 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.374 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.4 mptm? -72.72 -54.11 9.86 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.561 1.163 . . . . 0.0 112.386 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 28' ' ' LEU . 24.5 mt -56.63 -38.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.508 178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.14 -29.78 65.65 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 113.764 -1.562 . . . . 0.0 110.858 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.42 62.35 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.847 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.9 -48.47 36.92 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.584 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -64.79 1.01 Allowed 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.954 -174.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.78 177.73 16.46 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 113.472 -1.694 . . . . 0.0 109.567 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.39 7.65 7.57 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.353 -1.924 . . . . 0.0 111.482 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -32.54 8.61 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.13 0.894 . . . . 0.0 110.046 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -86.18 -62.38 1.53 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 113.843 -1.526 . . . . 0.0 109.403 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -135.44 88.06 25.75 Favored Pre-proline 0 C--N 1.355 0.809 0 O-C-N 125.315 1.634 . . . . 0.0 107.599 -176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' C ' ' HG3' ' A' ' 46' ' ' GLN . 2.9 Cg_exo -73.91 124.41 9.14 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 121.828 1.685 . . . . 0.0 108.897 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 29' ' ' LYS . 17.3 m -40.18 -30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.503 1.752 . . . . 0.0 114.085 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.7 -74.35 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.764 176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -91.72 24.3 21.29 Favored Glycine 0 C--N 1.352 1.422 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.07 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.739 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.3 mt-30 -81.02 63.26 5.32 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 121.455 0.645 . . . . 0.0 111.364 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 48' ' ' LEU . 12.7 mtmm -72.79 161.82 30.26 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.199 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.6 mp -135.72 151.08 49.8 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.595 1.809 . . . . 0.0 107.159 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 mm -129.24 113.9 29.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 124.46 1.1 . . . . 0.0 112.259 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.5 t80 -121.14 117.52 27.37 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.613 1.196 . . . . 0.0 109.052 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.85 33.26 6.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 125.29 1.619 . . . . 0.0 111.548 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.06 -8.2 58.07 Favored Glycine 0 CA--C 1.545 1.929 0 CA-C-N 114.121 -1.399 . . . . 0.0 113.673 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -91.49 164.67 13.72 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.496 HG12 HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.12 153.23 11.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 124.713 1.258 . . . . 0.0 109.073 -179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.1 131.71 19.88 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.634 1.833 . . . . 0.0 109.282 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 59' ' ' VAL . 10.5 t -104.55 171.98 7.04 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.997 -1.911 . . . . 0.0 109.229 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.626 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 13.5 p-10 -60.38 -13.36 12.85 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.459 -1.7 . . . . 0.0 114.275 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.92 -5.49 25.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 119.064 -1.055 . . . . 0.0 112.385 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.552 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.8 m -95.07 151.19 38.65 Favored Pre-proline 0 C--O 1.213 -0.853 0 O-C-N 124.184 0.928 . . . . 0.0 109.389 -177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -79.09 138.88 14.69 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.21 1.94 . . . . 0.0 111.254 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.6 mm -62.0 -33.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 124.258 0.974 . . . . 0.0 111.224 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -31.3 72.3 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.726 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -61.79 -26.72 68.27 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.507 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 72.2 m-85 -112.12 16.4 20.18 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 113.522 -1.672 . . . . 0.0 110.763 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 37.32 41.92 0.28 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.657 HD11 HD13 ' A' ' 55' ' ' LEU . 1.2 mt -71.04 91.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 113.992 -1.458 . . . . 0.0 109.554 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -92.99 156.01 17.17 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 112.56 -2.109 . . . . 0.0 107.291 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.18 -44.28 87.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 125.492 1.745 . . . . 0.0 112.343 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -51.94 -29.25 19.49 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.739 1.274 . . . . 0.0 112.365 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.89 162.77 13.71 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.116 -1.402 . . . . 0.0 108.254 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 6' ' ' THR . 10.2 p90 -133.3 144.29 49.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.552 -1.658 . . . . 0.0 110.26 174.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' HD1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -93.34 162.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.856 -1.974 . . . . 0.0 109.05 177.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 HD12 ' A' ' 10' ' ' LEU . 54.1 t -103.58 110.95 31.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.063 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.5 p -75.65 95.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.441 174.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 ttt -96.27 141.87 29.09 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.115 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' A' ' 46' ' ' GLN . 29.3 t -140.39 150.48 21.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.589 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.54 96.7 8.13 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.061 -1.881 . . . . 0.0 109.155 178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.557 1.217 0 O-C-N 124.791 1.307 . . . . 0.0 111.339 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.083 0.468 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 58.84 174.16 0.07 Allowed 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.203 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.402 HG22 ' HD3' ' A' ' 21' ' ' PRO . 4.2 m -97.62 -164.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.324 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.9 m -130.34 97.29 4.37 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.448 1.717 . . . . 0.0 109.851 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -59.7 158.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 124.282 0.989 . . . . 0.0 109.178 174.351 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 71' ' ' PHE . 58.6 m -128.85 134.81 48.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 125.686 1.866 . . . . 0.0 106.594 170.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -132.14 172.99 11.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.376 1.047 . . . . 0.0 110.734 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.0 tttp -163.58 122.96 2.07 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 112.782 -2.008 . . . . 0.0 109.096 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.531 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 59.1 p -62.18 -127.44 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.773 0.796 . . . . 0.0 112.171 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.17 35.73 0.86 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.249 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 88.53 -18.77 0.23 Allowed 'General case' 0 C--N 1.359 0.986 0 O-C-N 125.161 1.538 . . . . 0.0 111.758 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.81 -46.98 67.24 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.541 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -124.86 144.37 50.35 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 114.02 -1.445 . . . . 0.0 109.201 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.06 139.08 41.06 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.17 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.43 -158.39 0.71 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.468 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.06 160.31 24.31 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 114.375 -1.284 . . . . 0.0 108.298 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG13 HD11 ' A' ' 28' ' ' LEU . 3.5 mm -144.95 115.22 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 113.747 -1.569 . . . . 0.0 107.108 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -28.3 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.857 1.348 . . . . 0.0 112.418 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.684 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 1.7 ppp? 41.16 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.355 0.807 0 O-C-N 125.867 1.979 . . . . 0.0 113.041 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 tt0 -151.71 153.38 31.8 Favored Pre-proline 0 C--N 1.348 0.509 0 C-N-CA 117.768 -1.573 . . . . 0.0 109.656 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 16.2 Cg_exo -65.44 -2.5 6.19 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 120.979 1.119 . . . . 0.0 114.261 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -90.98 -43.89 9.68 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.261 -175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.33 159.35 0.48 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.005 1.441 . . . . 0.0 111.378 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -85.78 23.09 1.49 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 113.246 -1.797 . . . . 0.0 112.079 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD1' ' A' ' 61' ' ' ILE . 43.8 t 77.3 -29.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 118.299 0.5 . . . . 0.0 112.257 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 15.4 ttpp -62.3 -37.42 85.49 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 119.691 -0.804 . . . . 0.0 112.642 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -59.92 -33.89 54.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 113.798 -1.546 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD21 HD21 ' A' ' 7' ' ' LEU . 53.5 tp -67.43 -39.23 85.42 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.752 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.668 ' HB3' HG12 ' A' ' 43' ' ' VAL . 68.1 mttt -58.22 -39.33 78.77 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.423 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.67 94.61 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.854 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.43 -54.03 19.77 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.067 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.536 ' HB ' HE22 ' A' ' 46' ' ' GLN . 96.9 mt -56.92 -39.38 64.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-N 114.148 -1.387 . . . . 0.0 111.201 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -36.14 82.6 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.527 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.34 65.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.274 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.5 -47.62 47.09 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.93 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.97 -65.08 0.99 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.945 -1.48 . . . . 0.0 111.119 -173.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.83 174.9 18.44 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 113.19 -1.823 . . . . 0.0 109.239 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -7.47 51.93 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 113.197 -1.502 . . . . 0.0 111.876 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -36.13 12.2 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.949 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -78.09 -61.95 1.83 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.62 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.2 m-85 -135.95 78.62 47.18 Favored Pre-proline 0 C--N 1.356 0.858 0 O-C-N 125.278 1.611 . . . . 0.0 108.906 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.678 ' HD2' HG11 ' A' ' 76' ' ' VAL . 36.0 Cg_endo -70.08 126.6 13.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.135 1.223 . . . . 0.0 109.219 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.668 HG12 ' HB3' ' A' ' 29' ' ' LYS . 6.5 m -38.18 -33.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.3 1.625 . . . . 0.0 114.34 176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -62.88 1.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.125 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.09 19.7 53.34 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.527 -1.215 . . . . 0.0 113.206 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.672 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.6 mm-40 -77.9 69.73 4.17 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.131 0.491 . . . . 0.0 111.572 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -79.9 146.06 32.35 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 119.728 -0.789 . . . . 0.0 108.937 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.961 HD23 HG11 ' A' ' 72' ' ' VAL . 6.5 mp -121.97 157.98 30.1 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.238 -1.346 . . . . 0.0 108.619 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 mm -132.77 110.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 124.422 1.076 . . . . 0.0 112.519 -174.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.6 t80 -120.5 119.29 32.56 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.16 33.77 7.19 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.456 1.723 . . . . 0.0 111.536 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -8.58 52.42 Favored Glycine 0 CA--C 1.547 2.055 0 CA-C-N 114.18 -1.373 . . . . 0.0 113.678 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -91.57 169.21 10.94 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -111.38 152.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 125.105 1.503 . . . . 0.0 108.714 179.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -138.19 130.13 28.42 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 125.76 1.912 . . . . 0.0 108.916 178.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 59' ' ' VAL . 16.1 t -99.78 173.4 6.71 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.582 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 1.1 p30 -64.05 -16.35 61.5 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 113.383 -1.735 . . . . 0.0 113.718 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.1 -8.17 30.88 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 118.834 -1.146 . . . . 0.0 111.548 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -91.08 151.61 43.33 Favored Pre-proline 0 C--O 1.212 -0.906 0 O-C-N 124.357 1.035 . . . . 0.0 108.707 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.37 139.16 16.3 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.19 1.927 . . . . 0.0 111.759 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' VAL . 7.8 mm -59.27 -32.01 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.892 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.78 -30.19 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.357 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.13 -27.05 69.11 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.454 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 55' ' ' LEU . 45.2 m-85 -107.0 18.3 21.96 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 113.519 -1.673 . . . . 0.0 110.327 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.37 36.68 0.36 Allowed 'General case' 0 C--N 1.356 0.876 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.559 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.74 92.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.25 -173.107 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.56 156.6 16.64 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 112.315 -2.22 . . . . 0.0 107.48 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.4 -45.8 84.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.427 1.704 . . . . 0.0 111.63 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -28.25 7.5 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.988 1.43 . . . . 0.0 112.563 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.48 165.41 11.82 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.53 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CB ' HG22 ' A' ' 6' ' ' THR . 2.9 p90 -134.12 144.42 48.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.771 174.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.961 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -96.71 145.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 113.223 -1.808 . . . . 0.0 109.646 177.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 9' ' ' THR . 53.9 t -83.22 117.71 29.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.92 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 89.46 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 CA-C-O 121.666 0.746 . . . . 0.0 110.311 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttm -91.16 141.32 28.93 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.485 173.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.678 HG11 ' HD2' ' A' ' 42' ' ' PRO . 39.8 t -142.37 138.31 29.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.859 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m 70.02 128.17 0.03 OUTLIER 'General case' 0 C--N 1.359 1.007 0 O-C-N 125.7 1.875 . . . . 0.0 108.853 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 tptm . . . . . 0 CA--C 1.558 1.268 0 O-C-N 124.574 1.171 . . . . 0.0 111.535 -179.414 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 CA-C-O 121.929 0.871 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.56 169.99 16.8 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.582 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.605 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.5 m -82.05 -159.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.581 -1.645 . . . . 0.0 109.127 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 5' ' ' ILE . 2.7 m -118.99 174.54 6.25 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.558 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -144.54 159.47 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.653 HG22 ' HB2' ' A' ' 71' ' ' PHE . 86.5 m -133.05 115.57 15.3 Favored 'General case' 0 C--O 1.219 -0.5 0 O-C-N 124.871 1.357 . . . . 0.0 108.053 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -112.53 170.64 8.04 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 11' ' ' GLN . 4.5 ttpp -157.04 129.03 7.21 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.002 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 48.1 p -86.38 72.53 10.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.47 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 78.25 -40.52 0.29 Allowed 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.463 1.727 . . . . 0.0 112.036 178.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 3.8 pt20 168.49 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 O-C-N 124.849 1.343 . . . . 0.0 111.763 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -42.04 -62.11 1.0 Allowed 'General case' 0 C--N 1.355 0.84 0 O-C-N 125.344 1.652 . . . . 0.0 112.543 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -114.71 155.93 25.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.09 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -151.58 124.15 8.41 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 125.566 1.791 . . . . 0.0 108.673 -179.323 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 3.0 p90 -137.9 -171.48 3.02 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.841 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 125.332 1.645 . . . . 0.0 109.113 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.8 mm -133.48 154.97 39.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 124.861 1.351 . . . . 0.0 109.965 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.12 69.06 1.49 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.185 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.14 -178.36 3.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.91 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -114.52 138.11 22.98 Favored Pre-proline 0 C--N 1.356 0.89 0 O-C-N 125.248 1.592 . . . . 0.0 109.204 -178.017 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HD3' HG22 ' A' ' 3' ' ' VAL . 38.9 Cg_exo -61.47 -11.46 19.94 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 121.397 1.398 . . . . 0.0 115.63 177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.97 -31.58 20.55 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.164 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.73 159.52 3.01 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.471 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.84 22.9 1.85 Allowed 'General case' 0 C--N 1.346 0.413 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.054 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.9 t 76.96 -27.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 118.502 0.592 . . . . 0.0 110.71 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 26.5 tttt -55.58 -41.15 72.95 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.319 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -38.89 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 113.261 -1.791 . . . . 0.0 110.858 178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 32' ' ' ILE . 43.3 tp -61.88 -40.82 96.73 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.342 -1.754 . . . . 0.0 111.383 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.619 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.4 mmtp -54.58 -42.71 71.38 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 112.439 -2.164 . . . . 0.0 108.84 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.58 -38.82 85.85 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.084 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -72.57 -55.96 6.1 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 114.087 -1.415 . . . . 0.0 112.575 -177.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HG ' ' A' ' 28' ' ' LEU . 26.9 mt -56.54 -38.81 58.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.582 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -33.81 74.63 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.014 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.21 64.7 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.008 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.71 -47.51 38.91 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.132 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.726 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.89 -65.73 0.95 Allowed 'General case' 0 C--N 1.35 0.617 0 CA-C-N 114.13 -1.395 . . . . 0.0 110.96 -174.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.82 176.18 16.65 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 113.327 -1.761 . . . . 0.0 109.251 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.7 -8.0 51.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.133 -1.533 . . . . 0.0 112.174 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.51 -36.94 11.63 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.415 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -79.21 -61.82 1.89 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.781 -1.554 . . . . 0.0 109.717 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 9' ' ' THR . 3.5 m-85 -133.56 81.58 53.8 Favored Pre-proline 0 C--N 1.355 0.831 0 O-C-N 125.043 1.464 . . . . 0.0 108.002 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 76' ' ' VAL . 30.7 Cg_endo -70.37 124.32 10.72 Favored 'Trans proline' 0 C--N 1.364 1.367 0 C-N-CA 121.403 1.402 . . . . 0.0 109.708 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.619 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.4 m -40.82 -30.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.909 0 O-C-N 125.581 1.801 . . . . 0.0 114.181 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.2 -66.49 0.38 Allowed 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.016 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 76' ' ' VAL . . . -96.62 22.94 37.49 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 114.483 -1.235 . . . . 0.0 113.037 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -82.56 65.66 7.8 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.379 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -75.61 156.49 34.87 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 HG11 ' A' ' 72' ' ' VAL . 5.3 mp -132.48 148.58 52.4 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 125.139 1.525 . . . . 0.0 107.82 -175.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.709 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 mm -126.52 113.58 34.09 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 O-C-N 123.932 0.77 . . . . 0.0 112.07 -175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.694 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.1 t80 -120.49 114.54 21.92 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.441 1.088 . . . . 0.0 109.186 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.94 31.15 4.33 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.474 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.6 58.3 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.586 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -88.38 164.89 15.31 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -111.68 151.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 O-C-N 124.375 1.047 . . . . 0.0 109.462 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -142.94 134.36 26.22 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 125.225 1.578 . . . . 0.0 109.507 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 59' ' ' VAL . 11.3 t -107.56 172.13 7.0 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.556 -1.657 . . . . 0.0 109.638 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 3.5 p30 -61.72 -15.47 40.93 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.017 -1.447 . . . . 0.0 113.529 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -10.08 27.85 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.343 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.7 m -93.23 153.04 41.64 Favored Pre-proline 0 C--O 1.181 -2.503 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.9 Cg_endo -78.63 138.0 14.88 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.159 1.239 . . . . 0.0 111.949 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.594 ' CD1' HG22 ' A' ' 25' ' ' VAL . 3.4 mm -60.15 -33.46 53.46 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 121.883 0.849 . . . . 0.0 111.535 175.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -31.21 72.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.85 -1.523 . . . . 0.0 110.654 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -60.8 -28.06 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.189 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -108.76 17.24 22.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.19 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 38.1 46.23 0.82 Allowed 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 55' ' ' LEU . 1.5 mt -78.86 96.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.744 -172.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -98.78 157.65 16.15 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 112.844 -1.98 . . . . 0.0 108.887 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -64.21 -31.1 72.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.319 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -60.59 -26.72 67.17 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.45 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.21 -153.88 0.52 Allowed 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.92 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.653 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -174.71 141.35 0.63 Allowed 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 125.056 1.472 . . . . 0.0 108.975 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.746 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -99.39 163.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.618 176.05 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG13 ' H ' ' A' ' 10' ' ' LEU . 74.4 t -105.12 113.03 41.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.306 176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 9' ' ' THR . 1.4 p -76.56 92.71 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.121 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -93.57 136.97 33.32 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.015 173.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 46' ' ' GLN . 56.8 t -135.98 133.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 113.892 -1.504 . . . . 0.0 110.242 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 m -125.94 121.88 34.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.443 -1.708 . . . . 0.0 109.389 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.986 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 120.997 0.427 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.71 174.64 0.07 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.788 0.804 . . . . 0.0 111.113 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.639 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.4 m -94.33 -161.3 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.289 -1.323 . . . . 0.0 108.599 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.501 ' N ' HG23 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -115.74 171.55 7.68 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.396 176.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.448 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -145.1 164.77 12.26 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.626 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 -179.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.788 ' O ' HD13 ' A' ' 7' ' ' LEU . 48.7 m -138.35 128.55 25.82 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 125.188 1.555 . . . . 0.0 107.886 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.046 HD12 HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -134.97 170.8 15.34 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.041 0.838 . . . . 0.0 110.819 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.535 ' CD ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -132.84 174.13 10.65 Favored 'General case' 0 C--N 1.365 1.277 0 O-C-N 125.982 2.051 . . . . 0.0 110.47 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 9.3 p -114.92 4.67 14.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.728 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.961 HD22 HG12 ' A' ' 73' ' ' VAL . 0.1 OUTLIER 86.88 -32.35 0.04 OUTLIER 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.47 1.731 . . . . 0.0 109.496 175.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -91.19 -26.43 19.05 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.1 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 159.37 -43.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.492 0 O-C-N 125.291 1.619 . . . . 0.0 113.091 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 13.9 mt-30 -58.1 125.17 22.03 Favored 'General case' 0 C--O 1.212 -0.897 0 O-C-N 123.957 0.785 . . . . 0.0 110.798 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.535 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -128.42 117.69 21.82 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 125.423 1.702 . . . . 0.0 109.205 -176.511 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.99 136.65 46.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.71 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -95.76 153.39 17.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 111.696 -2.502 . . . . 0.0 109.706 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 HG21 HD12 ' A' ' 28' ' ' LEU . 36.4 mm -128.37 160.28 38.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.031 0 O-C-N 125.644 1.84 . . . . 0.0 109.714 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.0 ttm-85 -105.42 70.53 0.89 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.123 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.8 ppp? -112.67 -177.14 3.07 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.11 138.77 21.32 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.28 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.639 ' HD3' HG22 ' A' ' 3' ' ' VAL . 38.3 Cg_exo -63.19 -9.76 18.51 Favored 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 121.804 1.669 . . . . 0.0 116.009 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -94.61 -26.08 16.51 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.665 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG3' HG11 ' A' ' 27' ' ' VAL . 14.2 mm-40 -56.79 161.71 2.73 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.145 0.903 . . . . 0.0 110.778 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.03 22.98 2.21 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.148 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG22 ' CD1' ' A' ' 61' ' ' ILE . 42.9 t 75.46 -25.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.318 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -58.66 -38.87 79.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.679 0.752 . . . . 0.0 112.376 179.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -59.26 -37.41 68.75 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 113.221 -1.809 . . . . 0.0 110.597 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HG ' HD12 ' A' ' 32' ' ' ILE . 49.0 tp -63.81 -40.01 95.61 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.244 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' C ' HG12 ' A' ' 43' ' ' VAL . 4.3 mmtt -54.9 -43.78 73.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.417 -2.174 . . . . 0.0 109.222 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.14 -39.01 84.83 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.49 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 17' ' ' ILE . 1.5 mptm? -72.25 -56.56 5.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.957 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.73 HD12 ' HG ' ' A' ' 28' ' ' LEU . 42.2 mt -53.97 -40.9 47.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.26 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -32.36 71.33 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.722 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.24 -26.69 63.02 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.072 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.67 -47.61 30.85 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.86 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.57 -65.2 0.98 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.116 -1.402 . . . . 0.0 110.969 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.0 178.41 18.07 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.474 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -72.61 -9.96 59.22 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.89 -1.655 . . . . 0.0 112.4 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.47 -34.3 15.64 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.52 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -84.16 -61.66 1.75 Allowed 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.856 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.2 m-85 -135.35 85.42 32.59 Favored Pre-proline 0 C--N 1.353 0.735 0 O-C-N 125.206 1.566 . . . . 0.0 108.596 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HD2' HG11 ' A' ' 76' ' ' VAL . 55.8 Cg_endo -77.03 125.17 7.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 121.685 1.59 . . . . 0.0 108.652 175.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.609 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.6 m -39.53 -30.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -64.52 0.86 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.647 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.682 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -87.12 -0.9 84.93 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 114.329 -1.305 . . . . 0.0 113.578 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.3 mt-30 -65.86 91.07 0.14 Allowed 'General case' 0 C--O 1.199 -1.587 0 O-C-N 124.196 0.586 . . . . 0.0 109.995 -175.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.92 161.67 13.62 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 178.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mp -140.49 148.32 40.91 Favored 'General case' 0 C--O 1.211 -0.945 0 O-C-N 125.866 1.979 . . . . 0.0 107.518 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.651 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 mm -125.86 114.47 39.15 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 124.443 1.09 . . . . 0.0 111.528 -176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.4 t80 -121.09 115.82 23.82 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.156 0.91 . . . . 0.0 108.858 -178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.46 31.28 4.96 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.469 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.37 -10.41 58.96 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.596 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -88.79 167.06 13.59 Favored 'General case' 0 C--O 1.196 -1.743 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -113.82 153.4 15.36 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.64 0 O-C-N 124.656 1.222 . . . . 0.0 108.577 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.61 138.57 26.06 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 125.887 1.992 . . . . 0.0 109.18 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -111.66 174.33 5.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.43 -2.168 . . . . 0.0 108.762 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 57.3 p30 -61.42 -15.72 39.64 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.933 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.4 -10.63 23.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 118.867 -1.133 . . . . 0.0 111.803 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -91.29 150.75 42.0 Favored Pre-proline 0 C--N 1.353 0.739 0 O-C-N 123.995 0.809 . . . . 0.0 109.842 -175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -76.68 140.04 20.64 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.666 2.244 . . . . 0.0 111.87 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.0 mm -61.61 -34.11 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.968 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -62.08 -32.16 72.67 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.073 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.82 -26.76 66.03 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 124.566 1.166 . . . . 0.0 111.605 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 79.6 m-85 -116.46 19.86 14.47 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.011 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 36.18 41.99 0.16 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -75.47 88.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.319 1.012 . . . . 0.0 109.522 -171.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.38 158.17 16.22 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 112.273 -2.239 . . . . 0.0 107.456 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -57.32 -44.68 84.37 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.35 1.656 . . . . 0.0 112.954 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -30.22 21.24 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 114.623 -1.172 . . . . 0.0 112.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -106.37 164.28 12.16 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 113.12 -1.855 . . . . 0.0 108.107 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' THR . 7.0 p90 -136.72 145.8 45.1 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 112.995 -1.911 . . . . 0.0 110.372 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.046 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -99.53 155.48 4.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 112.913 -1.949 . . . . 0.0 109.589 176.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.961 HG12 HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -100.61 112.47 33.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.325 -178.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -79.64 106.2 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.323 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.3 ttt -100.17 129.89 46.24 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.689 HG11 ' HD2' ' A' ' 42' ' ' PRO . 2.4 t -141.44 149.78 20.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 124.518 1.136 . . . . 0.0 108.831 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.7 p -81.85 130.27 35.01 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.508 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.203 0 CA-C-N 113.647 -1.615 . . . . 0.0 113.068 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.465 0.65 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -97.2 171.52 8.39 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.54 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.534 HG22 ' HD3' ' A' ' 21' ' ' PRO . 3.3 m -91.27 -170.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 113.88 -1.509 . . . . 0.0 109.617 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.75 170.05 8.17 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.109 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -142.41 116.52 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.168 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 m -82.71 133.49 35.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 117.676 -1.61 . . . . 0.0 108.103 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.865 HD23 HG12 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -134.11 166.65 22.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.104 0.877 . . . . 0.0 110.5 178.089 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 3.4 tttp -163.12 125.01 2.53 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 125.336 1.647 . . . . 0.0 109.701 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 73' ' ' VAL . 69.6 p -62.09 -127.26 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.701 0.762 . . . . 0.0 111.697 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.69 36.22 0.9 Allowed 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.343 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 89.73 -22.48 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.616 1.823 . . . . 0.0 111.369 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -70.22 -37.22 74.99 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 125.054 1.471 . . . . 0.0 111.157 -176.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -130.48 150.19 51.81 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.961 1.413 . . . . 0.0 109.715 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.33 126.72 20.04 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.907 2.004 . . . . 0.0 109.056 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.8 p90 -149.38 158.71 44.41 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 125.02 1.45 . . . . 0.0 109.73 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.9 mptt -123.82 163.17 21.76 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.94 1.4 . . . . 0.0 110.277 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 8.8 mm -133.14 159.99 42.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 124.548 1.155 . . . . 0.0 108.953 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -104.75 68.76 0.85 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 125.479 1.737 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.543 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.4 ppp? -106.32 -174.56 2.57 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.75 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.2 tt0 -115.84 141.05 26.94 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.973 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 3' ' ' VAL . 24.9 Cg_exo -64.19 -6.84 12.29 Favored 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 121.988 1.792 . . . . 0.0 115.681 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.94 -30.09 18.06 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.944 1.402 . . . . 0.0 111.106 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.88 161.73 15.02 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 125.702 1.876 . . . . 0.0 109.731 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.84 22.65 1.61 Allowed 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.028 -176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.697 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.18 -30.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.443 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.8 -40.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.355 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HG ' HD12 ' A' ' 32' ' ' ILE . 53.2 tp -62.28 -38.91 91.14 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.89 1.369 . . . . 0.0 111.767 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.713 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.2 mmtp -55.84 -42.18 75.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.403 -2.181 . . . . 0.0 108.583 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.51 -40.99 93.41 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.879 1.362 . . . . 0.0 111.925 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.91 -55.79 7.67 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.351 1.657 . . . . 0.0 111.835 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.618 HD12 ' HG ' ' A' ' 28' ' ' LEU . 76.6 mt -56.39 -38.61 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 125.482 1.739 . . . . 0.0 111.69 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -69.07 -33.17 73.13 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.156 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.41 63.81 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 118.913 -1.115 . . . . 0.0 111.709 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.29 -47.57 41.7 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 113.467 -1.697 . . . . 0.0 109.231 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.15 -66.04 0.93 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 125.507 1.754 . . . . 0.0 111.018 -174.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.4 176.97 18.88 Favored Glycine 0 C--N 1.342 0.898 0 O-C-N 125.477 1.736 . . . . 0.0 109.146 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -73.0 -7.09 49.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.649 -1.776 . . . . 0.0 111.929 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.0 -35.53 12.58 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.013 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.786 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.92 -61.69 1.84 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.409 -1.723 . . . . 0.0 109.119 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 2.9 m-85 -136.13 79.42 43.98 Favored Pre-proline 0 C--N 1.355 0.821 0 O-C-N 125.453 1.721 . . . . 0.0 108.559 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HD2' HG11 ' A' ' 76' ' ' VAL . 39.8 Cg_endo -72.68 125.39 10.53 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.173 1.915 . . . . 0.0 109.173 173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' A' ' 29' ' ' LYS . 19.1 m -38.65 -31.91 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 O-C-N 125.611 1.82 . . . . 0.0 114.707 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.12 -67.5 0.31 Allowed 'General case' 0 CA--C 1.541 0.609 0 O-C-N 125.655 1.847 . . . . 0.0 111.256 176.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.702 ' C ' HG13 ' A' ' 76' ' ' VAL . . . -82.78 -2.02 90.62 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 124.883 1.365 . . . . 0.0 112.849 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.733 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.5 mt-30 -64.94 128.31 35.22 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.321 -0.952 . . . . 0.0 109.07 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 48' ' ' LEU . 9.1 mtmm -141.25 149.38 41.24 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.731 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.4 mp -128.99 146.95 50.84 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 113.92 -1.491 . . . . 0.0 109.162 -175.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.77 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.2 mm -123.26 112.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 O-C-N 124.21 0.944 . . . . 0.0 111.735 -174.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HD1' HG23 ' A' ' 72' ' ' VAL . 13.6 t80 -120.47 117.79 28.59 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.574 1.171 . . . . 0.0 108.741 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.28 33.33 7.23 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 125.431 1.707 . . . . 0.0 111.522 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.2 -11.05 51.5 Favored Glycine 0 CA--C 1.545 1.953 0 CA-C-N 114.138 -1.392 . . . . 0.0 113.287 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -90.08 169.07 11.49 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 124.634 0.844 . . . . 0.0 109.492 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -115.22 154.74 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 124.692 1.245 . . . . 0.0 109.376 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -143.57 135.71 26.8 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 125.676 1.86 . . . . 0.0 109.084 -179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -105.66 173.36 6.34 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 113.052 -1.886 . . . . 0.0 109.41 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 33.5 p30 -61.86 -14.13 30.82 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 113.192 -1.822 . . . . 0.0 113.983 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -98.15 -9.51 25.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 118.338 -1.345 . . . . 0.0 111.111 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -92.06 151.37 41.78 Favored Pre-proline 0 C--O 1.209 -1.049 0 O-C-N 124.568 1.168 . . . . 0.0 109.227 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -77.85 137.68 16.09 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.886 1.724 . . . . 0.0 111.429 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.697 ' CD1' HG22 ' A' ' 25' ' ' VAL . 6.3 mm -58.77 -35.44 55.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.705 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -30.1 71.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.972 -1.467 . . . . 0.0 111.07 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.84 -26.16 68.62 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.759 1.287 . . . . 0.0 111.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 70.1 m-85 -109.24 15.66 23.01 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 125.334 1.646 . . . . 0.0 110.599 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 40.77 41.51 1.19 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.653 HD11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -72.31 88.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 125.279 1.612 . . . . 0.0 109.756 -172.234 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.16 156.99 17.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.4 -2.182 . . . . 0.0 107.437 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -43.29 87.22 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 125.245 1.591 . . . . 0.0 111.39 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -29.97 11.33 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 125.16 1.537 . . . . 0.0 112.382 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.7 157.32 19.23 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.264 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -126.84 138.57 53.35 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.533 174.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.865 HG12 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -91.37 156.21 3.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 CA-C-N 113.027 -1.897 . . . . 0.0 110.178 176.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' THR . 48.4 t -96.91 113.29 30.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.291 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -78.38 86.84 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 O-C-N 124.621 1.201 . . . . 0.0 110.747 174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.54 136.37 37.15 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.014 174.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.6 t -143.39 116.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.912 1.383 . . . . 0.0 109.342 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.74 108.53 8.65 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.917 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.763 0 O-C-N 125.486 1.741 . . . . 0.0 109.964 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.832 0.825 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.47 170.59 8.3 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.687 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.461 HG22 ' HD3' ' A' ' 21' ' ' PRO . 2.9 m -75.34 -165.1 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 113.835 -1.53 . . . . 0.0 109.753 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 171.83 7.45 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.192 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' CG2' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -144.79 163.42 13.46 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 CA-C-N 112.612 -2.085 . . . . 0.0 106.028 -178.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.859 ' O ' HD13 ' A' ' 7' ' ' LEU . 32.6 m -147.71 132.72 18.19 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 125.161 1.538 . . . . 0.0 106.983 174.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.039 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -133.51 167.88 19.66 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 124.842 1.339 . . . . 0.0 109.345 178.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -139.97 142.49 36.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.167 -1.833 . . . . 0.0 108.401 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 18.7 p -95.54 1.55 53.91 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 125.286 1.616 . . . . 0.0 112.867 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.069 HD21 HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER 85.24 -34.96 0.05 OUTLIER 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.882 1.364 . . . . 0.0 110.898 171.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -79.95 -27.71 39.76 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.785 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 157.51 -37.22 0.0 OUTLIER 'General case' 0 C--N 1.367 1.347 0 O-C-N 125.175 1.547 . . . . 0.0 113.347 -176.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -62.99 95.12 0.08 Allowed 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.03 0.831 . . . . 0.0 111.594 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.66 112.68 23.26 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.424 -1.716 . . . . 0.0 107.839 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -134.07 -167.21 1.92 Allowed 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.094 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -155.31 154.13 31.61 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.256 -2.247 . . . . 0.0 109.021 -177.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 31' ' ' LYS . 13.2 mm -132.77 157.86 43.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 112.861 -1.972 . . . . 0.0 109.532 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 17' ' ' ILE . 2.0 ttt180 -105.07 72.64 1.01 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.944 -1.48 . . . . 0.0 110.978 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.597 ' HE3' HD11 ' A' ' 61' ' ' ILE . 1.4 ppp? -111.04 -178.39 3.45 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 113.985 -1.461 . . . . 0.0 109.799 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.4 tt0 -110.6 140.37 22.51 Favored Pre-proline 0 C--O 1.204 -1.315 0 O-C-N 125.403 1.689 . . . . 0.0 109.089 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 3' ' ' VAL . 23.7 Cg_exo -65.75 -6.29 13.69 Favored 'Trans proline' 0 C--N 1.385 2.467 0 N-CA-C 115.239 1.207 . . . . 0.0 115.239 177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.52 -24.49 16.05 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.332 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.25 160.39 10.6 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.233 0.958 . . . . 0.0 110.208 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.1 21.91 1.88 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.809 -1.996 . . . . 0.0 112.113 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 21.5 t 77.46 -28.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-N 117.973 0.352 . . . . 0.0 110.663 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 30.3 ttmt -52.41 -42.94 64.49 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 t -55.83 -44.71 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 112.857 -1.974 . . . . 0.0 110.635 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD12 ' A' ' 32' ' ' ILE . 52.5 tp -57.1 -40.01 76.18 Favored 'General case' 0 CA--C 1.512 -0.507 0 O-C-N 124.667 1.23 . . . . 0.0 112.458 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' C ' HG12 ' A' ' 43' ' ' VAL . 2.8 mmtt -56.1 -41.66 75.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.245 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.48 -37.34 80.74 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.176 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -75.11 -57.88 3.62 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 124.658 1.224 . . . . 0.0 112.315 -177.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.709 HD12 ' HG ' ' A' ' 28' ' ' LEU . 41.8 mt -53.87 -41.93 50.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 124.175 0.922 . . . . 0.0 111.213 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.54 -32.91 72.01 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.725 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -24.64 63.44 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.004 175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.87 -45.7 34.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.655 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -100.23 -66.32 0.91 Allowed 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.94 1.4 . . . . 0.0 111.01 -174.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.2 178.53 19.98 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.582 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -8.9 57.82 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.872 -1.664 . . . . 0.0 111.746 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 -35.61 13.73 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.98 -61.02 2.08 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.222 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CZ ' HG21 ' A' ' 9' ' ' THR . 1.6 m-85 -137.19 83.36 27.36 Favored Pre-proline 0 C--O 1.198 -1.632 0 O-C-N 125.234 1.583 . . . . 0.0 108.873 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' HD2' HG11 ' A' ' 76' ' ' VAL . 41.1 Cg_endo -72.83 125.14 10.23 Favored 'Trans proline' 0 C--N 1.372 1.792 0 N-CA-C 109.075 -1.164 . . . . 0.0 109.075 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' C ' ' A' ' 29' ' ' LYS . 34.8 m -40.15 -30.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 125.305 1.628 . . . . 0.0 114.858 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.11 0.37 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.073 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.631 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -88.91 7.87 81.08 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 114.233 -1.349 . . . . 0.0 113.173 -178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.682 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -67.63 93.71 0.39 Allowed 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.223 0.602 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 147.35 25.67 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.76 ' C ' HD13 ' A' ' 49' ' ' ILE . 5.1 mp -127.77 141.83 51.47 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.562 1.789 . . . . 0.0 107.934 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -123.74 113.06 35.58 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.61 118.03 29.9 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 124.823 1.327 . . . . 0.0 108.593 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.19 33.39 7.38 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 125.407 1.692 . . . . 0.0 111.614 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.13 -10.75 52.3 Favored Glycine 0 CA--C 1.542 1.751 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.405 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -90.81 165.16 13.78 Favored 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.637 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.84 153.83 15.31 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.818 0 O-C-N 125.112 1.508 . . . . 0.0 108.497 -178.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.54 138.93 26.39 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 126.155 2.16 . . . . 0.0 108.697 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -110.26 173.75 6.18 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 112.151 -2.295 . . . . 0.0 108.779 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' H ' ' HZ1' ' A' ' 29' ' ' LYS . 39.7 p-10 -60.27 -15.74 27.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.717 -2.038 . . . . 0.0 113.509 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.13 -8.46 23.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.946 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -93.8 152.09 40.39 Favored Pre-proline 0 C--O 1.182 -2.474 0 O-C-N 123.957 0.786 . . . . 0.0 108.938 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -78.11 139.28 16.91 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 121.097 1.198 . . . . 0.0 111.996 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -61.88 -35.08 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.238 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -33.0 74.54 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.769 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -59.95 -30.51 69.13 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.727 1.267 . . . . 0.0 110.946 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 91.0 m-85 -109.52 16.73 22.03 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.435 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 36.88 49.02 0.73 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -80.01 98.33 3.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.68 -173.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -96.39 157.41 15.91 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 112.706 -2.043 . . . . 0.0 108.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.07 -41.33 96.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.177 1.548 . . . . 0.0 111.76 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -30.51 14.36 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.068 1.48 . . . . 0.0 112.8 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.75 162.31 14.58 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.297 -1.774 . . . . 0.0 107.864 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' THR . 4.8 p90 -129.5 140.59 51.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 113.143 -1.844 . . . . 0.0 110.525 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.039 HG12 HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -87.77 166.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.003 -1.908 . . . . 0.0 110.278 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.069 HG13 HD21 ' A' ' 10' ' ' LEU . 2.9 t -102.84 107.94 23.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.435 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 74' ' ' VAL . 1.3 p -76.69 84.51 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.355 171.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -95.52 135.2 37.47 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.055 173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.1 t -141.05 142.96 28.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 O-C-N 124.811 1.319 . . . . 0.0 108.871 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 p -64.51 119.38 10.33 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 113.116 -1.856 . . . . 0.0 110.136 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 121.464 0.65 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . -131.91 171.45 13.54 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.623 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -88.75 172.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.453 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.8 m -109.09 89.64 3.05 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.268 -1.787 . . . . 0.0 109.043 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -51.28 160.58 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.647 173.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.693 HG22 ' HB2' ' A' ' 71' ' ' PHE . 59.3 m -138.83 122.94 17.99 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 173.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -119.07 173.53 6.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 178.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 11' ' ' GLN . 4.7 tttp -158.91 131.22 6.75 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.371 -1.74 . . . . 0.0 108.967 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 44.9 p -87.77 70.39 9.61 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.104 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER 82.62 -36.31 0.09 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.933 -1.94 . . . . 0.0 110.867 174.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 162.29 -46.82 0.0 OUTLIER 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.345 1.653 . . . . 0.0 112.067 -173.447 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -40.24 -66.59 0.3 Allowed 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.568 1.793 . . . . 0.0 112.365 -175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.76 151.92 29.74 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 113.758 -1.565 . . . . 0.0 108.957 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -143.65 121.29 11.83 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.706 1.879 . . . . 0.0 108.67 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.4 p90 -137.69 -166.81 2.02 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 113.703 -1.59 . . . . 0.0 109.233 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 3.9 pttt -154.73 154.21 32.51 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 113.123 -1.853 . . . . 0.0 109.162 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 31' ' ' LYS . 16.1 mm -128.49 159.02 40.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 113.415 -1.721 . . . . 0.0 108.822 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' N ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -102.45 67.94 1.04 Allowed 'General case' 0 C--N 1.349 0.576 0 CA-C-N 113.742 -1.572 . . . . 0.0 110.764 178.27 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.55 ' CE ' ' HB2' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -107.07 -172.26 2.04 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.366 177.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -121.24 139.71 29.97 Favored Pre-proline 0 C--N 1.355 0.825 0 O-C-N 125.293 1.62 . . . . 0.0 109.277 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 20' ' ' GLU . 37.2 Cg_exo -59.95 -11.23 14.5 Favored 'Trans proline' 0 C--N 1.368 1.58 0 N-CA-C 116.127 1.549 . . . . 0.0 116.127 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.96 -29.51 20.73 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.353 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HG3' HG11 ' A' ' 27' ' ' VAL . 19.5 mm-40 -58.33 161.43 4.36 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.547 1.154 . . . . 0.0 111.065 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 22.18 3.24 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 112.543 -2.117 . . . . 0.0 112.133 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 59' ' ' VAL . 21.5 t 77.42 -28.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.758 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -56.59 -42.5 78.8 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.194 -0.602 . . . . 0.0 111.671 178.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -56.74 -39.09 61.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 CA-C-N 113.796 -1.547 . . . . 0.0 110.673 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.3 tp -63.68 -39.55 94.61 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.606 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' C ' HG12 ' A' ' 43' ' ' VAL . 1.5 mmtp -53.94 -43.33 69.73 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 112.645 -2.071 . . . . 0.0 108.879 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.23 -40.36 93.74 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.7 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -69.29 -56.97 5.98 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.696 1.248 . . . . 0.0 112.421 -178.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.704 HD12 ' HG ' ' A' ' 28' ' ' LEU . 33.2 mt -55.25 -39.76 53.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.507 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -30.17 67.49 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.393 -1.731 . . . . 0.0 110.667 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.55 61.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.76 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.0 -47.76 42.28 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.465 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.24 -65.74 0.94 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 113.662 -1.608 . . . . 0.0 111.141 -174.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.26 174.59 15.65 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 113.343 -1.753 . . . . 0.0 109.296 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -7.08 47.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 112.943 -1.628 . . . . 0.0 112.472 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -35.6 12.42 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.449 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -80.97 -60.96 2.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.073 -1.421 . . . . 0.0 109.42 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 9' ' ' THR . 3.3 m-85 -135.44 82.53 39.86 Favored Pre-proline 0 C--N 1.355 0.811 0 O-C-N 125.181 1.55 . . . . 0.0 108.029 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' HG11 ' A' ' 76' ' ' VAL . 37.8 Cg_endo -72.57 125.13 10.35 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.89 1.727 . . . . 0.0 109.33 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.631 HG12 ' C ' ' A' ' 29' ' ' LYS . 35.3 m -40.52 -30.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 125.293 1.621 . . . . 0.0 114.17 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.08 -65.08 0.63 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.229 -1.35 . . . . 0.0 111.863 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.07 21.81 44.13 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 114.318 -1.31 . . . . 0.0 113.02 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.713 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -82.75 68.44 9.23 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 123.919 0.423 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -75.7 156.63 34.54 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.851 HD23 HG11 ' A' ' 72' ' ' VAL . 5.0 mp -133.54 148.96 51.68 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.452 1.72 . . . . 0.0 107.314 -177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.5 mm -127.36 112.47 28.41 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 O-C-N 124.349 1.031 . . . . 0.0 112.505 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.551 ' HD1' HG23 ' A' ' 72' ' ' VAL . 12.3 t80 -119.22 115.76 24.88 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.616 1.197 . . . . 0.0 109.295 -177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.51 31.16 4.95 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 124.943 1.402 . . . . 0.0 111.381 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.72 -9.39 59.5 Favored Glycine 0 CA--C 1.546 2.023 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.65 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 2.3 mttt -90.76 166.49 13.09 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -110.52 155.15 11.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 O-C-N 124.811 1.319 . . . . 0.0 108.819 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.92 135.72 23.41 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 125.504 1.752 . . . . 0.0 108.884 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 59' ' ' VAL . 9.7 t -109.17 173.26 6.4 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . 22.7 p30 -62.01 -14.62 37.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.526 -1.67 . . . . 0.0 114.55 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -97.51 -11.87 23.27 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.098 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -90.22 152.9 46.39 Favored Pre-proline 0 C--N 1.353 0.723 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -175.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.1 Cg_endo -79.41 138.79 14.13 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.507 2.138 . . . . 0.0 111.579 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.8 mm -59.74 -35.0 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.989 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -30.8 71.82 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.984 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.71 -30.1 68.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.624 1.203 . . . . 0.0 111.022 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -111.54 19.4 18.19 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.983 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 39.96 49.11 2.22 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.673 HD11 HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -88.96 87.28 2.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 121.915 0.864 . . . . 0.0 109.961 -171.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.29 165.79 12.41 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.062 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -52.34 -52.84 51.03 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.301 1.626 . . . . 0.0 112.355 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -51.16 -28.21 10.54 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.072 1.482 . . . . 0.0 112.178 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' ND2' ' CE1' ' A' ' 50' ' ' TYR . 1.1 t30 -103.61 163.98 11.96 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.432 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.693 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -138.71 145.04 39.82 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.945 -1.934 . . . . 0.0 110.066 174.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.851 HG11 HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -103.54 161.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.131 176.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 10' ' ' LEU . 86.7 t -101.61 111.0 29.87 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.977 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.48 96.86 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.401 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.646 ' HG2' HD11 ' A' ' 49' ' ' ILE . 2.4 ppp? -95.62 140.28 30.67 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.615 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' GLN . 60.4 t -139.04 142.95 32.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.2 t -90.95 144.8 25.3 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.413 -1.722 . . . . 0.0 110.141 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.822 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.318 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 57.09 -177.11 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.014 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 m -105.11 173.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.491 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 m -107.54 91.2 3.56 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 112.969 -1.923 . . . . 0.0 108.642 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG2' HD11 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -52.13 160.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.565 173.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 71' ' ' PHE . 36.8 m -135.33 119.88 18.13 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.283 1.614 . . . . 0.0 108.078 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -117.98 172.1 7.63 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.451 0.643 . . . . 0.0 109.41 178.654 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 11' ' ' GLN . 4.0 ttpt -159.72 133.38 7.19 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 113.465 -1.698 . . . . 0.0 108.971 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.681 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 41.2 p -88.68 68.97 8.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.983 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' H ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER 81.69 -31.4 0.1 Allowed 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.157 -1.838 . . . . 0.0 111.769 173.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 13.0 tt0 162.04 -49.25 0.0 OUTLIER 'General case' 0 C--N 1.357 0.901 0 O-C-N 125.702 1.877 . . . . 0.0 111.078 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -38.31 -67.8 0.19 Allowed 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.536 1.772 . . . . 0.0 112.643 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -110.56 152.8 25.99 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 125.336 1.647 . . . . 0.0 109.44 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.05 123.37 11.61 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 125.821 1.951 . . . . 0.0 108.74 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 7' ' ' LEU . 4.0 p90 -138.11 -171.98 3.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.989 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 6' ' ' THR . 2.6 mtmp? -149.61 151.07 33.18 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.63 1.831 . . . . 0.0 108.408 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 7' ' ' LEU . 24.2 mm -126.35 160.03 34.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 O-C-N 125.002 1.439 . . . . 0.0 109.005 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 17' ' ' ILE . 9.3 ttm-85 -103.61 65.7 0.84 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.95 1.406 . . . . 0.0 111.074 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.615 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -106.21 -175.01 2.67 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.803 178.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -119.02 139.89 27.97 Favored Pre-proline 0 C--N 1.354 0.772 0 O-C-N 125.075 1.485 . . . . 0.0 108.994 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.5 -11.76 14.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 N-CA-C 115.859 1.446 . . . . 0.0 115.859 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -85.3 -30.19 23.94 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.727 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.62 160.8 6.75 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.48 1.112 . . . . 0.0 110.562 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -89.49 23.3 2.63 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.201 -177.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 61' ' ' ILE . 36.4 t 78.11 -30.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.748 177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -54.7 -40.35 69.07 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 111.871 179.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -59.96 -39.1 79.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.445 179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 32' ' ' ILE . 48.6 tp -61.44 -40.13 93.32 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.036 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' C ' HG12 ' A' ' 43' ' ' VAL . 55.0 mttt -55.95 -40.78 73.69 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.833 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.92 -40.19 88.01 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.695 1.247 . . . . 0.0 112.144 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 27' ' ' VAL . 3.5 mptp? -72.43 -56.92 4.66 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 125.046 1.466 . . . . 0.0 112.428 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 28' ' ' LEU . 31.8 mt -54.52 -39.31 44.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 124.497 1.123 . . . . 0.0 111.424 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -30.31 67.24 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 113.633 -1.622 . . . . 0.0 110.543 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.57 64.44 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.796 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -73.46 -47.37 42.0 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.779 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.63 -65.05 0.99 Allowed 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.842 -174.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.51 178.67 17.32 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.45 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.28 -8.48 56.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.993 -1.603 . . . . 0.0 112.041 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.36 -35.89 13.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.329 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -82.55 -62.06 1.72 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.769 -1.56 . . . . 0.0 109.412 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CZ ' HG21 ' A' ' 9' ' ' THR . 2.9 m-85 -134.47 83.68 42.52 Favored Pre-proline 0 C--N 1.354 0.786 0 O-C-N 125.332 1.645 . . . . 0.0 108.119 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -72.14 123.96 9.65 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 121.47 1.446 . . . . 0.0 109.217 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 29' ' ' LYS . 19.5 m -40.84 -31.7 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 125.47 1.731 . . . . 0.0 114.24 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.84 -62.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.506 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -98.37 20.57 49.95 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.865 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.8 mt-30 -80.53 74.42 7.42 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.87 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 48' ' ' LEU . 33.5 mmtt -82.98 156.58 23.37 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 49' ' ' ILE . 6.1 mp -133.26 150.22 51.93 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 125.098 1.499 . . . . 0.0 107.874 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.782 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.0 mm -128.04 115.44 38.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.224 0 O-C-N 124.287 0.992 . . . . 0.0 112.064 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HD1' HG23 ' A' ' 72' ' ' VAL . 14.4 t80 -122.31 115.03 21.61 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.725 1.265 . . . . 0.0 109.063 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 68.95 31.59 4.15 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.04 -1.436 . . . . 0.0 111.468 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.26 -10.53 58.36 Favored Glycine 0 CA--C 1.545 1.944 0 CA-C-N 114.202 -1.363 . . . . 0.0 113.545 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -89.13 166.93 13.52 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.71 154.81 15.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 124.69 1.244 . . . . 0.0 108.874 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -145.12 136.25 24.89 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.652 1.845 . . . . 0.0 108.948 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 59' ' ' VAL . 12.6 t -110.22 174.42 5.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.941 -1.936 . . . . 0.0 109.289 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 46.9 p-10 -62.51 -15.24 49.36 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 113.345 -1.752 . . . . 0.0 114.329 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -96.45 -12.41 24.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.138 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 m -90.05 151.94 45.63 Favored Pre-proline 0 C--O 1.209 -1.06 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.1 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -78.96 138.12 14.35 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.0 1.8 . . . . 0.0 111.54 179.088 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.4 mm -60.7 -33.8 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.893 0.854 . . . . 0.0 110.895 175.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.99 -30.77 71.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.785 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.16 -25.52 67.07 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.582 1.176 . . . . 0.0 111.645 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 77.8 m-85 -112.72 23.17 13.77 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 124.998 1.436 . . . . 0.0 110.449 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 32.71 49.11 0.15 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 HD13 ' A' ' 55' ' ' LEU . 1.4 mt -81.15 98.43 3.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.086 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 156.07 17.41 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.686 -2.052 . . . . 0.0 108.842 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.52 -39.26 90.39 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.509 -2.132 . . . . 0.0 111.191 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -30.45 17.15 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.79 1.306 . . . . 0.0 112.317 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -154.23 0.5 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.336 1.648 . . . . 0.0 108.454 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -175.97 140.37 0.42 Allowed 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 125.208 1.568 . . . . 0.0 108.504 -178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.738 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -98.51 163.38 2.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.587 0 CA-C-N 114.193 -1.367 . . . . 0.0 110.79 175.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 10' ' ' LEU . 39.5 t -106.19 113.42 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 113.965 -1.471 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 74' ' ' VAL . 1.4 p -75.2 95.06 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.624 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.1 ttt -97.42 138.02 35.5 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.832 174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 46' ' ' GLN . 40.4 t -133.69 130.65 56.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.624 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 t -97.02 148.44 22.99 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.591 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.403 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.805 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.46 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 121.335 0.588 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 19' ' ' MET . . . 62.07 174.24 0.13 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.593 -1.64 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 m -95.19 177.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.606 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 m -107.55 91.44 3.65 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.084 -1.871 . . . . 0.0 108.553 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -52.87 162.19 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.424 0 O-C-N 124.171 0.92 . . . . 0.0 110.172 172.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.769 ' O ' HD13 ' A' ' 7' ' ' LEU . 31.1 m -136.94 134.5 36.81 Favored 'General case' 0 C--O 1.207 -1.157 0 O-C-N 125.095 1.497 . . . . 0.0 107.502 173.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.984 HD12 HG12 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -133.17 166.24 22.92 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 124.239 0.962 . . . . 0.0 109.939 -178.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 2.8 tttp -159.82 122.95 3.55 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 126.025 2.078 . . . . 0.0 109.504 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.603 ' O ' HG13 ' A' ' 73' ' ' VAL . 60.9 p -61.05 -125.76 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.63 0.729 . . . . 0.0 112.335 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -91.97 38.89 1.0 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.942 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 86.67 -12.64 0.56 Allowed 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.093 1.496 . . . . 0.0 111.465 174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -76.57 -45.29 31.09 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.792 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -125.49 155.48 40.48 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.003 1.44 . . . . 0.0 109.126 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CG ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -146.24 131.23 18.22 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 126.083 2.115 . . . . 0.0 109.337 -177.54 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.7 p90 -151.48 138.13 18.78 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 113.408 -1.723 . . . . 0.0 109.741 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 11.6 pttt -100.68 157.51 16.63 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.706 -2.043 . . . . 0.0 109.412 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 31' ' ' LYS . 15.6 mm -129.3 163.15 35.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.018 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.716 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' ILE . 7.7 ttm180 -106.31 66.52 0.71 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.471 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.601 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -108.29 -170.66 1.72 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.178 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.45 143.44 43.13 Favored Pre-proline 0 C--O 1.207 -1.172 0 O-C-N 125.487 1.742 . . . . 0.0 109.233 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.71 -6.77 9.64 Favored 'Trans proline' 0 C--N 1.38 2.231 0 O-C-N 123.692 1.364 . . . . 0.0 115.587 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.64 -36.95 15.97 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.368 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 14.8 mm-40 -57.81 162.7 3.02 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.991 1.432 . . . . 0.0 110.726 -177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 22.99 1.94 Allowed 'General case' 0 C--N 1.348 0.54 0 CA-C-N 113.487 -1.688 . . . . 0.0 112.091 -176.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 61' ' ' ILE . 25.6 t 77.6 -28.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.247 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 7.1 ttmt -54.28 -42.45 70.02 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 121.664 0.745 . . . . 0.0 112.641 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' HG3' ' A' ' 23' ' ' GLU . 13.5 m -56.52 -40.4 68.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.071 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 32' ' ' ILE . 51.6 tp -61.6 -39.75 92.33 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.198 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.626 ' C ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -55.15 -42.41 73.07 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 112.347 -2.206 . . . . 0.0 108.824 177.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.91 -38.12 84.63 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.569 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -73.32 -56.46 5.04 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 124.651 1.219 . . . . 0.0 111.899 -177.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.688 HD12 ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt -55.75 -40.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.474 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.86 -31.82 69.87 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 113.523 -1.671 . . . . 0.0 110.412 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.85 62.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.881 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.4 -47.33 34.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.535 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -98.44 -65.29 0.97 Allowed 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.97 1.419 . . . . 0.0 111.066 -175.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.48 177.16 20.02 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.531 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -8.0 53.7 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 112.63 -1.785 . . . . 0.0 111.758 176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.42 -35.77 12.19 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.341 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -81.08 -60.57 2.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.582 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 4.1 m-85 -136.76 79.37 40.04 Favored Pre-proline 0 C--O 1.195 -1.807 0 O-C-N 125.325 1.64 . . . . 0.0 108.421 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD2' HG11 ' A' ' 76' ' ' VAL . 33.0 Cg_endo -68.94 126.34 13.73 Favored 'Trans proline' 0 C--N 1.376 2.019 0 O-C-N 123.601 1.316 . . . . 0.0 109.755 174.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' C ' ' A' ' 29' ' ' LYS . 27.8 m -41.11 -30.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 125.534 1.771 . . . . 0.0 114.518 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.82 -62.53 1.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.417 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -96.63 18.94 56.61 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.703 1.252 . . . . 0.0 113.083 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.74 ' HA ' HG22 ' A' ' 76' ' ' VAL . 2.0 mt-30 -80.56 70.74 7.34 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.754 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 14.5 mttt -78.54 152.69 31.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.383 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.805 HD23 ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -129.16 145.61 51.27 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.566 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.3 mm -124.61 113.51 36.55 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 O-C-N 124.078 0.861 . . . . 0.0 111.979 -175.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 72' ' ' VAL . 11.4 t80 -119.59 118.27 30.56 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 124.637 1.21 . . . . 0.0 108.482 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 65.32 32.55 9.73 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 125.265 1.603 . . . . 0.0 111.498 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 -13.86 45.95 Favored Glycine 0 CA--C 1.544 1.895 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.284 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 165.96 15.09 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.556 HG12 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -113.45 157.11 14.26 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 125.075 1.485 . . . . 0.0 108.483 -179.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -146.79 136.44 23.04 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 126.179 2.174 . . . . 0.0 108.75 -179.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 t -108.53 173.94 6.09 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.67 -2.059 . . . . 0.0 109.663 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 3.5 p30 -61.6 -14.89 34.28 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.243 -1.799 . . . . 0.0 113.776 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -10.09 26.34 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.034 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 m -92.4 152.55 42.37 Favored Pre-proline 0 C--O 1.166 -3.296 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' VAL . 1.6 Cg_endo -78.93 138.69 14.82 Favored 'Trans proline' 0 C--N 1.378 2.125 0 O-C-N 123.347 1.182 . . . . 0.0 111.599 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' A' ' 25' ' ' VAL . 4.2 mm -60.8 -32.33 51.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.205 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -30.28 70.44 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.494 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.38 -26.85 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 124.729 1.268 . . . . 0.0 111.068 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 74.7 m-85 -110.89 18.7 19.27 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.727 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 38.92 39.76 0.39 Allowed 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -76.11 88.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.925 0 O-C-N 124.624 1.203 . . . . 0.0 109.42 -173.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -92.66 162.64 14.08 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.258 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -56.36 -47.28 79.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 125.634 1.834 . . . . 0.0 112.869 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -54.69 -26.35 33.09 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 124.662 1.226 . . . . 0.0 111.784 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.34 162.93 13.47 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.698 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.2 p90 -136.12 145.72 46.17 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 112.883 -1.962 . . . . 0.0 109.967 174.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.984 HG12 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -100.97 155.06 4.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.211 -1.813 . . . . 0.0 110.272 176.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 9' ' ' THR . 56.5 t -90.96 113.15 26.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.303 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 15' ' ' PHE . 1.4 p -79.7 88.51 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 O-C-N 124.565 1.165 . . . . 0.0 110.819 174.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.5 ttm -93.57 140.25 29.82 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.558 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.9 t -140.07 147.09 23.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.539 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 p -115.92 115.53 26.35 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 113.01 -1.905 . . . . 0.0 108.745 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tttt . . . . . 0 CA--C 1.555 1.14 0 O-C-N 125.636 1.835 . . . . 0.0 110.352 178.209 . . . . . . . . 0 0 . 1 stop_ save_